CID 14294502

Bis(heptafluoropropyl)phosphinic acid

Structural Information

Molecular Formula

C₆HF₁₄O₂P

SMILES

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

InChI

InChI=1S/C6HF14O2P/c7-1(8,3(11,12)13)5(17,18)23(21,22)6(19,20)2(9,10)4(14,15)16/h(H,21,22)

InChIKey

INDJJBXXADEZFT-UHFFFAOYSA-N

Compound name

bis(1,1,2,2,3,3,3-heptafluoropropyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 401.94907 Da
Monoisotopic Mass: 4.0
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]+	402.956346	150.7
[M+Na]+	424.938288	156.2
[M-H]-	400.941794	156.0
[M+NH4]+	419.982893	157.6
[M+K]+	440.912228	186.0
[M+H-H2O]+	384.946330	164.1
[M+HCOO]-	446.947271	173.1
[M+CH3COO]-	460.962921	217.7
[M+Na-2H]-	422.923736	182.1
[M]+	401.94852142	147.6
[M]-	401.94961858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe