CID 9788

Difluoroacetic acid

Structural Information

Molecular Formula

C₂H₂F₂O₂

SMILES

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

InChI

InChI=1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

PBWZKZYHONABLN-UHFFFAOYSA-N

Compound name

2,2-difluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 21
References: 12768
Patents: 96.00229 Da
Monoisotopic Mass: 0.6
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]+	97.009566	110.5
[M+Na]+	118.991508	118.8
[M-H]-	94.995014	107.4
[M+NH4]+	114.036113	133.0
[M+K]+	134.965448	119.2
[M+H-H2O]+	78.999550	105.2
[M+HCOO]-	141.000491	130.7
[M+CH3COO]-	155.016141	162.6
[M+Na-2H]-	116.976956	115.6
[M]+	96.00174142	106.8
[M]-	96.00283858	106.8

Literature stripe

literature stripe

Patent stripe

patents stripe