CID 67843

Ethyl chlorodifluoroacetate

Structural Information

Molecular Formula

C₄H₅ClF₂O₂

SMILES

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

InChI

InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

GVCAWQUJCHZRCB-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 662
Patents: 157.99461 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]+	159.00189	126.8
[M+Na]+	180.98383	135.8
[M+NH4]+	176.02843	133.2
[M+K]+	196.95777	131.8
[M-H]-	156.98733	122.4
[M+Na-2H]-	178.96928	129.6
[M]+	157.99406	126.8
[M]-	157.99516	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe