CID 5355335

3533-68-4

Structural Information

Molecular Formula

C₃H₂Cl₂O₂

SMILES

C(=C(/C(=O)O)\Cl)\Cl

InChI

InChI=1S/C3H2Cl2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)/b2-1-

InChIKey

YQYHCJZVJNOGBP-UPHRSURJSA-N

Compound name

(Z)-2,3-dichloroprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 118
Patents: 139.94319 Da
Monoisotopic Mass: 1.5
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]+	140.95047	118.9
[M+Na]+	162.93241	128.3
[M-H]-	138.93591	117.9
[M+NH4]+	157.97701	141.0
[M+K]+	178.90635	124.6
[M+H-H2O]+	122.94045	117.5
[M+HCOO]-	184.94139	131.7
[M+CH3COO]-	198.95704	167.5
[M+Na-2H]-	160.91786	123.7
[M]+	139.94264	120.0
[M]-	139.94374	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe