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

112
Patents

139.94319 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.