CID 11734

2-chloropropionic acid

Structural Information

Molecular Formula
C3H5ClO2
SMILES
CC(C(=O)O)Cl
InChI
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey
GAWAYYRQGQZKCR-UHFFFAOYSA-N
Compound name
2-chloropropanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

93
References

15484
Patents

107.99781 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.005086 115.1
[M+Na]+ 130.987028 123.8
[M-H]- 106.990534 114.7
[M+NH4]+ 126.031633 138.2
[M+K]+ 146.960968 122.5
[M+H-H2O]+ 90.995070 112.7
[M+HCOO]- 152.996011 132.7
[M+CH3COO]- 167.011661 164.1
[M+Na-2H]- 128.972476 120.6
[M]+ 107.99726142 116.1
[M]- 107.99835858 116.1
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