CID 241022

3-chloro-2-hydroxy-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H7ClO3
SMILES
CC(CCl)(C(=O)O)O
InChI
InChI=1S/C4H7ClO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)
InChIKey
NFSVYGUHJOOEJQ-UHFFFAOYSA-N
Compound name
3-chloro-2-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

138.00838 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.015656 123.0
[M+Na]+ 160.997598 131.5
[M-H]- 137.001104 121.1
[M+NH4]+ 156.042203 144.3
[M+K]+ 176.971538 129.3
[M+H-H2O]+ 121.005640 120.9
[M+HCOO]- 183.006581 138.4
[M+CH3COO]- 197.022231 165.9
[M+Na-2H]- 158.983046 129.3
[M]+ 138.00783142 124.0
[M]- 138.00892858 124.0
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