CID 139596927

4:6 perfluorophosphinate

Structural Information

Molecular Formula

C₁₀HF₂₂O₂P

SMILES

C(C(C(C(F)(F)P(=O)(C(C(C(C(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/C10HF22O2P/c11-1(12,3(15,16)7(23,24)25)2(13,14)5(19,20)9(29,30)35(33,34)10(31,32)6(21,22)4(17,18)8(26,27)28/h(H,33,34)

InChIKey

RKLDUEMWNXOSPP-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 601.9363 Da
Monoisotopic Mass: 6.7
XlogP (predicted)

Profile

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]+	602.943576	184.7
[M+Na]+	624.925518	187.8
[M-H]-	600.929024	195.1
[M+NH4]+	619.970123	195.3
[M+K]+	640.899458	198.4
[M+H-H2O]+	584.933560	166.2
[M+HCOO]-	646.934501	204.4
[M+CH3COO]-	660.950151	248.8
[M+Na-2H]-	622.910966	183.1
[M]+	601.93575142	181.7
[M]-	601.93684858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.