PubChemLite - Bis(pentacosafluorododecyl)phosphinic acid (C24HF50O2P)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(C(F)(F)P(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24HF50O2P/c25-1(26,5(33,34)9(41,42)13(49,50)17(57,58)21(65,66)67)3(29,30)7(37,38)11(45,46)15(53,54)19(61,62)23(71,72)77(75,76)24(73,74)20(63,64)16(55,56)12(47,48)8(39,40)4(31,32)2(27,28)6(35,36)10(43,44)14(51,52)18(59,60)22(68,69)70/h(H,75,76)

InChIKey

GSPDBXPMTTYLFV-UHFFFAOYSA-N

Compound name

bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)phosphinic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1302.8989	305.8
[M+Na]+	1324.8808	305.8
[M-H]-	1300.8843	317.4
[M+NH4]+	1319.9254	313.1
[M+K]+	1340.8548	316.1
[M+H-H2O]+	1284.8889	296.4
[M+HCOO]-	1346.8898	312.8
[M+CH3COO]-	1360.9055	271.5
[M+Na-2H]-	1322.8663	307.6
[M]+	1301.8911	293.8
[M]-	1301.8921	293.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1302.8989

305.8

[M+Na]+

1324.8808

305.8

[M-H]-

1300.8843

317.4

[M+NH4]+

1319.9254

313.1

[M+K]+

1340.8548

316.1

[M+H-H2O]+

1284.8889

296.4

[M+HCOO]-

1346.8898

312.8

[M+CH3COO]-

1360.9055

271.5

[M+Na-2H]-

1322.8663

307.6

[M]+

1301.8911

293.8

[M]-

1301.8921

293.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bis(pentacosafluorododecyl)phosphinic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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