Bis(heneicosafluorodecyl)phosphinic acid (C20H9F34O2P)

Structural Information

Molecular Formula

SMILES

C(CP(=O)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)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

InChI

InChI=1S/C20H9F34O2P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57(55,56)4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)

InChIKey

DEENCVDXCNHHAM-UHFFFAOYSA-N

Compound name

bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)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]+	958.987016	246.5
[M+Na]+	980.968958	246.9
[M-H]-	956.972464	259.1
[M+NH4]+	976.013563	258.0
[M+K]+	996.942898	262.5
[M+H-H2O]+	940.977000	229.3
[M+HCOO]-	1002.977941	259.9
[M+CH3COO]-	1016.993591	277.7
[M+Na-2H]-	978.954406	246.3
[M]+	957.97919142	242.3
[M]-	957.98028858	242.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

958.987016

246.5

[M+Na]+

980.968958

246.9

[M-H]-

956.972464

259.1

[M+NH4]+

976.013563

258.0

[M+K]+

996.942898

262.5

[M+H-H2O]+

940.977000

229.3

[M+HCOO]-

1002.977941

259.9

[M+CH3COO]-

1016.993591

277.7

[M+Na-2H]-

978.954406

246.3

[M]+

957.97919142

242.3

[M]-

957.98028858

242.3

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

Bis(heneicosafluorodecyl)phosphinic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe