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

155183
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]+ 116.97137 119.9
[M-H]- 92.974879 110.1
[M+NH4]+ 112.01598 134.2
[M+K]+ 132.94531 118.4
[M+H-H2O]+ 76.979415 108.2
[M+HCOO]- 138.98036 129.4
[M+CH3COO]- 152.99601 160.2
[M+Na-2H]- 114.95682 117.8
[M]+ 93.981606 111.7
[M]- 93.982704 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.