CID 1752534

2,2,3,3,4,4-hexafluorobutyric acid

Structural Information

Molecular Formula

C₄H₂F₆O₂

SMILES

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

InChI

InChI=1S/C4H2F6O2/c5-1(6)3(7,8)4(9,10)2(11)12/h1H,(H,11,12)

InChIKey

ACPUHIQZFSBBGQ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4-hexafluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 184
Patents: 195.9959 Da
Monoisotopic Mass: 2.0
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]+	197.00318	128.4
[M+Na]+	218.98512	136.9
[M-H]-	194.98862	120.2
[M+NH4]+	214.02972	146.5
[M+K]+	234.95906	135.8
[M+H-H2O]+	178.99316	120.1
[M+HCOO]-	240.99410	140.5
[M+CH3COO]-	255.00975	181.1
[M+Na-2H]-	216.97057	131.6
[M]+	195.99535	119.0
[M]-	195.99645	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe