CID 151137

3681-17-2

Structural Information

Molecular Formula
C3H3ClO3
SMILES
C(C(=O)C(=O)O)Cl
InChI
InChI=1S/C3H3ClO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
InChIKey
RCWFNCXDFSOVLG-UHFFFAOYSA-N
Compound name
3-chloro-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

408
Patents

121.97707 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.98435 116.3
[M+Na]+ 144.96629 125.2
[M-H]- 120.96979 115.8
[M+NH4]+ 140.01089 138.7
[M+K]+ 160.94023 123.7
[M+H-H2O]+ 104.97433 113.7
[M+HCOO]- 166.97527 134.3
[M+CH3COO]- 180.99092 165.1
[M+Na-2H]- 142.95174 121.7
[M]+ 121.97652 118.0
[M]- 121.97762 118.0
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