CID 118534

3-chloro-4-hydroxyphenylacetic acid

Structural Information

Molecular Formula
C8H7ClO3
SMILES
C1=CC(=C(C=C1CC(=O)O)Cl)O
InChI
InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey
IYTUKSIOQKTZEG-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

782
Patents

186.00838 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 132.7
[M+Na]+ 208.99760 142.3
[M-H]- 185.00110 134.4
[M+NH4]+ 204.04220 152.4
[M+K]+ 224.97154 138.4
[M+H-H2O]+ 169.00564 129.0
[M+HCOO]- 231.00658 150.1
[M+CH3COO]- 245.02223 175.3
[M+Na-2H]- 206.98305 137.6
[M]+ 186.00783 134.3
[M]- 186.00893 134.3
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

patents stripe