CID 19612145

2-(2-chloro-4-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C8H7ClO3
SMILES
C1=CC(=C(C=C1O)Cl)CC(=O)O
InChI
InChI=1S/C8H7ClO3/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4,10H,3H2,(H,11,12)
InChIKey
MDTAULLCKGQYMK-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

186.00838 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 132.7
[M+Na]+ 208.997598 142.3
[M-H]- 185.001104 134.4
[M+NH4]+ 204.042203 152.4
[M+K]+ 224.971538 138.4
[M+H-H2O]+ 169.005640 129.0
[M+HCOO]- 231.006581 150.1
[M+CH3COO]- 245.022231 175.3
[M+Na-2H]- 206.983046 137.6
[M]+ 186.00783142 134.3
[M]- 186.00892858 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

No literature data available for this compound.

Patent stripe

patents stripe