PubChemLite - Bis(tridecafluorohexyl)phosphinic acid (C12HF26O2P)

Structural Information

Molecular Formula

SMILES

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)(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12HF26O2P/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)41(39,40)12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34/h(H,39,40)

InChIKey

NKHVPWOARFMIPG-UHFFFAOYSA-N

Compound name

bis(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]+	702.93718	202.0
[M+Na]+	724.91912	204.1
[M-H]-	700.92262	213.9
[M+NH4]+	719.96372	213.4
[M+K]+	740.89306	217.1
[M+H-H2O]+	684.92716	183.3
[M+HCOO]-	746.92810	220.0
[M+CH3COO]-	760.94375	260.0
[M+Na-2H]-	722.90457	201.2
[M]+	701.92935	199.0
[M]-	701.93045	199.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

702.93718

202.0

[M+Na]+

724.91912

204.1

[M-H]-

700.92262

213.9

[M+NH4]+

719.96372

213.4

[M+K]+

740.89306

217.1

[M+H-H2O]+

684.92716

183.3

[M+HCOO]-

746.92810

220.0

[M+CH3COO]-

760.94375

260.0

[M+Na-2H]-

722.90457

201.2

[M]+

701.92935

199.0

[M]-

701.93045

199.0

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

Bis(tridecafluorohexyl)phosphinic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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