CID 73935

Methyl chlorodifluoroacetate

Structural Information

Molecular Formula

C₃H₃ClF₂O₂

SMILES

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

InChI

InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3

InChIKey

AWUPLMYXZJKHEG-UHFFFAOYSA-N

Compound name

methyl 2-chloro-2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1809
Patents: 143.97896 Da
Monoisotopic Mass: 0.8
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]+	144.98624	118.2
[M+Na]+	166.96818	128.1
[M-H]-	142.97168	116.6
[M+NH4]+	162.01278	140.7
[M+K]+	182.94212	126.8
[M+H-H2O]+	126.97622	114.0
[M+HCOO]-	188.97716	134.6
[M+CH3COO]-	202.99281	171.0
[M+Na-2H]-	164.95363	125.0
[M]+	143.97841	118.8
[M]-	143.97951	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe