CID 27655

Chlorosuccinic acid

Structural Information

Molecular Formula
C4H5ClO4
SMILES
C(C(C(=O)O)Cl)C(=O)O
InChI
InChI=1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
InChIKey
QEGKXSHUKXMDRW-UHFFFAOYSA-N
Compound name
2-chlorobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

757
Patents

151.98764 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99492 123.9
[M+Na]+ 174.97686 131.7
[M-H]- 150.98036 121.9
[M+NH4]+ 170.02146 144.2
[M+K]+ 190.95080 130.0
[M+H-H2O]+ 134.98490 121.2
[M+HCOO]- 196.98584 139.4
[M+CH3COO]- 211.00149 168.6
[M+Na-2H]- 172.96231 127.0
[M]+ 151.98709 124.9
[M]- 151.98819 124.9
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.