CID 15272

1561-20-2

Structural Information

Molecular Formula
C3H2Cl2O2
SMILES
C(=C(Cl)Cl)C(=O)O
InChI
InChI=1S/C3H2Cl2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)
InChIKey
HYODZVPUCNBWNY-UHFFFAOYSA-N
Compound name
3,3-dichloroprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

127
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

literature stripe

Patent stripe

patents stripe