PubChemLite - 93857-55-7 (C26H9F46O4P)

Structural Information

Molecular Formula

SMILES

C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C26H9F46O4P/c27-5(28,9(33,34)13(41,42)17(49,50)21(57,58)19(53,54)15(45,46)11(37,38)7(31,23(61,62)63)24(64,65)66)1-3-75-77(73,74)76-4-2-6(29,30)10(35,36)14(43,44)18(51,52)22(59,60)20(55,56)16(47,48)12(39,40)8(32,25(67,68)69)26(70,71)72/h1-4H2,(H,73,74)

InChIKey

PIWWVQNNYGQYGW-UHFFFAOYSA-N

Compound name

bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] hydrogen phosphate

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]+	1290.9577	298.3
[M+Na]+	1312.9396	297.9
[M-H]-	1288.9431	310.7
[M+NH4]+	1307.9842	307.2
[M+K]+	1328.9136	310.2
[M+H-H2O]+	1272.9477	286.8
[M+HCOO]-	1334.9486	306.2
[M+CH3COO]-	1348.9643	276.5
[M+Na-2H]-	1310.9251	299.3
[M]+	1289.9499	289.1
[M]-	1289.9509	289.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1290.9577

298.3

[M+Na]+

1312.9396

297.9

[M-H]-

1288.9431

310.7

[M+NH4]+

1307.9842

307.2

[M+K]+

1328.9136

310.2

[M+H-H2O]+

1272.9477

286.8

[M+HCOO]-

1334.9486

306.2

[M+CH3COO]-

1348.9643

276.5

[M+Na-2H]-

1310.9251

299.3

[M]+

1289.9499

289.1

[M]-

1289.9509

289.1

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

93857-55-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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