610800-34-5 (C14HF30O2P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14HF30O2P/c15-1(16,3(19,20)7(27,28)11(35,36)37)2(17,18)5(23,24)9(31,32)13(41,42)47(45,46)14(43,44)10(33,34)6(25,26)4(21,22)8(29,30)12(38,39)40/h(H,45,46)

InChIKey

CQORQFOHIKVJET-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)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]+	802.930776	218.8
[M+Na]+	824.912718	220.2
[M-H]-	800.916224	231.7
[M+NH4]+	819.957323	230.6
[M+K]+	840.886658	234.7
[M+H-H2O]+	784.920760	200.8
[M+HCOO]-	846.921701	235.0
[M+CH3COO]-	860.937351	267.9
[M+Na-2H]-	822.898166	219.1
[M]+	801.92295142	215.5
[M]-	801.92404858	215.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

802.930776

218.8

[M+Na]+

824.912718

220.2

[M-H]-

800.916224

231.7

[M+NH4]+

819.957323

230.6

[M+K]+

840.886658

234.7

[M+H-H2O]+

784.920760

200.8

[M+HCOO]-

846.921701

235.0

[M+CH3COO]-

860.937351

267.9

[M+Na-2H]-

822.898166

219.1

[M]+

801.92295142

215.5

[M]-

801.92404858

215.5

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

610800-34-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe