CID 11263

2,3-dichloropropionic acid

Structural Information

Molecular Formula
C3H4Cl2O2
SMILES
C(C(C(=O)O)Cl)Cl
InChI
InChI=1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKey
GKFWNPPZHDYVLI-UHFFFAOYSA-N
Compound name
2,3-dichloropropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2099
Patents

141.95883 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.966106 119.9
[M+Na]+ 164.948048 128.9
[M-H]- 140.951554 118.8
[M+NH4]+ 159.992653 141.9
[M+K]+ 180.921988 125.8
[M+H-H2O]+ 124.956090 118.3
[M+HCOO]- 186.957031 132.5
[M+CH3COO]- 200.972681 169.1
[M+Na-2H]- 162.933496 124.7
[M]+ 141.95828142 121.7
[M]- 141.95937858 121.7
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