CID 3711426

2,2-difluorobutyric acid

Structural Information

Molecular Formula

C₄H₆F₂O₂

SMILES

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

InChI

InChI=1S/C4H6F2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)

InChIKey

SBSKRVZFWQPJID-UHFFFAOYSA-N

Compound name

2,2-difluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 382
Patents: 124.033585 Da
Monoisotopic Mass: 1.4
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]+	125.04086	119.3
[M+Na]+	147.02280	127.5
[M-H]-	123.02631	116.1
[M+NH4]+	142.06741	140.9
[M+K]+	162.99674	127.2
[M+H-H2O]+	107.03084	114.2
[M+HCOO]-	169.03179	138.3
[M+CH3COO]-	183.04744	168.0
[M+Na-2H]-	145.00825	125.3
[M]+	124.03304	116.5
[M]-	124.03413	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe