CID 139598233

2,2,4,4-tetrafluorobutanoic acid

Structural Information

Molecular Formula

C₄H₄F₄O₂

SMILES

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

InChI

InChI=1S/C4H4F4O2/c5-2(6)1-4(7,8)3(9)10/h2H,1H2,(H,9,10)

InChIKey

ZOWZCBIGIPOMRF-UHFFFAOYSA-N

Compound name

2,2,4,4-tetrafluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 160.01474 Da
Monoisotopic Mass: 1.7
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]+	161.02202	124.2
[M+Na]+	183.00396	132.2
[M-H]-	159.00746	118.2
[M+NH4]+	178.04856	144.0
[M+K]+	198.97790	131.5
[M+H-H2O]+	143.01200	117.1
[M+HCOO]-	205.01294	140.0
[M+CH3COO]-	219.02859	174.7
[M+Na-2H]-	180.98941	127.7
[M]+	160.01419	118.1
[M]-	160.01529	118.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.