CID 300

Chloroacetic acid

Structural Information

Molecular Formula
C2H3ClO2
SMILES
C(C(=O)O)Cl
InChI
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
FOCAUTSVDIKZOP-UHFFFAOYSA-N
Compound name
2-chloroacetic acid
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

590
References

156027
Patents

93.982155 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.989431 110.6
[M+Na]+ 116.971373 119.9
[M-H]- 92.974879 110.1
[M+NH4]+ 112.015978 134.2
[M+K]+ 132.945313 118.4
[M+H-H2O]+ 76.979415 108.2
[M+HCOO]- 138.980356 129.4
[M+CH3COO]- 152.996006 160.2
[M+Na-2H]- 114.956821 117.8
[M]+ 93.98160642 111.7
[M]- 93.98270358 111.7
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