CID 66154

Chlorodifluoroacetic acid

Structural Information

Molecular Formula

C₂HClF₂O₂

SMILES

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

InChI

InChI=1S/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

OAWAZQITIZDJRB-UHFFFAOYSA-N

Compound name

2-chloro-2,2-difluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 23
References: 10062
Patents: 129.96332 Da
Monoisotopic Mass: 1.2
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]+	130.97060	113.9
[M+Na]+	152.95254	123.7
[M-H]-	128.95604	111.0
[M+NH4]+	147.99714	136.1
[M+K]+	168.92648	121.7
[M+H-H2O]+	112.96058	110.2
[M+HCOO]-	174.96152	129.2
[M+CH3COO]-	188.97717	165.9
[M+Na-2H]-	150.93799	120.7
[M]+	129.96277	112.3
[M]-	129.96387	112.3

Literature stripe

literature stripe

Patent stripe

patents stripe