CID 14452717

52299-24-8

Structural Information

Molecular Formula

C₄H₂F₉O₃P

SMILES

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

InChI

InChI=1S/C4H2F9O3P/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)

InChIKey

AUBOIAPNLUHLAF-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4-nonafluorobutylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 83
Patents: 299.95978 Da
Monoisotopic Mass: 1.6
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]+	300.967056	155.4
[M+Na]+	322.948998	164.5
[M-H]-	298.952504	141.9
[M+NH4]+	317.993603	169.0
[M+K]+	338.922938	162.3
[M+H-H2O]+	282.957040	143.5
[M+HCOO]-	344.957981	165.2
[M+CH3COO]-	358.973631	196.1
[M+Na-2H]-	320.934446	159.3
[M]+	299.95923142	141.8
[M]-	299.96032858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe