CID 73817985

3-(3-chloro-4-hydroxyphenyl)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C9H9ClO4
SMILES
C1=CC(=C(C=C1CC(C(=O)O)O)Cl)O
InChI
InChI=1S/C9H9ClO4/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14/h1-3,8,11-12H,4H2,(H,13,14)
InChIKey
FQVIFLDYHYLKLU-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-hydroxyphenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01894 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.026216 140.3
[M+Na]+ 239.008158 148.6
[M-H]- 215.011664 140.5
[M+NH4]+ 234.052763 157.8
[M+K]+ 254.982098 144.7
[M+H-H2O]+ 199.016200 136.5
[M+HCOO]- 261.017141 155.0
[M+CH3COO]- 275.032791 179.0
[M+Na-2H]- 236.993606 142.9
[M]+ 216.01839142 141.3
[M]- 216.01948858 141.3
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

No patent data available for this compound.