CID 11735

2-chloroacrylic acid

Structural Information

Molecular Formula
C3H3ClO2
SMILES
C=C(C(=O)O)Cl
InChI
InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChIKey
SZTBMYHIYNGYIA-UHFFFAOYSA-N
Compound name
2-chloroprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

25192
Patents

105.982155 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.98943 113.7
[M+Na]+ 128.97137 122.7
[M-H]- 104.97488 113.3
[M+NH4]+ 124.01598 136.8
[M+K]+ 144.94531 120.8
[M+H-H2O]+ 88.979415 111.3
[M+HCOO]- 150.98036 131.5
[M+CH3COO]- 164.99601 163.1
[M+Na-2H]- 126.95682 119.2
[M]+ 105.98161 114.0
[M]- 105.98270 114.0
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