PubChemLite - Bis(heptadecafluorooctyl)phosphinic acid (C16HF34O2P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C16HF34O2P/c17-1(18,5(25,26)9(33,34)13(41,42)43)3(21,22)7(29,30)11(37,38)15(47,48)53(51,52)16(49,50)12(39,40)8(31,32)4(23,24)2(19,20)6(27,28)10(35,36)14(44,45)46/h(H,51,52)

InChIKey

BELPOXSOCHBAEX-UHFFFAOYSA-N

Compound name

bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)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]+	902.92438	235.5
[M+Na]+	924.90632	236.3
[M-H]-	900.90982	248.7
[M+NH4]+	919.95092	247.1
[M+K]+	940.88026	251.2
[M+H-H2O]+	884.91436	218.7
[M+HCOO]-	946.91530	249.8
[M+CH3COO]-	960.93095	272.7
[M+Na-2H]-	922.89177	236.6
[M]+	901.91655	231.2
[M]-	901.91765	231.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

902.92438

235.5

[M+Na]+

924.90632

236.3

[M-H]-

900.90982

248.7

[M+NH4]+

919.95092

247.1

[M+K]+

940.88026

251.2

[M+H-H2O]+

884.91436

218.7

[M+HCOO]-

946.91530

249.8

[M+CH3COO]-

960.93095

272.7

[M+Na-2H]-

922.89177

236.6

[M]+

901.91655

231.2

[M]-

901.91765

231.2

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

Bis(heptadecafluorooctyl)phosphinic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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