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

561
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

literature stripe

Patent stripe

patents stripe