Zowxkevrduwunk-uhfffaoysa-n (C20HF42O2P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20HF42O2P/c21-1(22,5(29,30)9(37,38)13(45,46)17(53,54)55)3(25,26)7(33,34)11(41,42)15(49,50)19(59,60)65(63,64)20(61,62)16(51,52)12(43,44)8(35,36)4(27,28)2(23,24)6(31,32)10(39,40)14(47,48)18(56,57)58/h(H,63,64)

InChIKey

ZOWXKEVRDUWUNK-UHFFFAOYSA-N

Compound name

bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)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]+	1102.911576	269.5
[M+Na]+	1124.893518	269.8
[M-H]-	1100.897024	282.4
[M+NH4]+	1119.938123	279.4
[M+K]+	1140.867458	283.3
[M+H-H2O]+	1084.901560	256.3
[M+HCOO]-	1146.902501	280.1
[M+CH3COO]-	1160.918151	275.1
[M+Na-2H]-	1122.878966	271.7
[M]+	1101.90375142	261.9
[M]-	1101.90484858	261.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1102.911576

269.5

[M+Na]+

1124.893518

269.8

[M-H]-

1100.897024

282.4

[M+NH4]+

1119.938123

279.4

[M+K]+

1140.867458

283.3

[M+H-H2O]+

1084.901560

256.3

[M+HCOO]-

1146.902501

280.1

[M+CH3COO]-

1160.918151

275.1

[M+Na-2H]-

1122.878966

271.7

[M]+

1101.90375142

261.9

[M]-

1101.90484858

261.9

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

Zowxkevrduwunk-uhfffaoysa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe