CID 21072418

5'-chloro-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid

Structural Information

Molecular Formula
C13H9ClO3
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H9ClO3/c14-10-4-5-12(15)11(7-10)8-2-1-3-9(6-8)13(16)17/h1-7,15H,(H,16,17)
InChIKey
ODGCLNKGAPCIAE-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-hydroxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

248.02402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03130 149.3
[M+Na]+ 271.01324 159.0
[M-H]- 247.01674 154.2
[M+NH4]+ 266.05784 166.3
[M+K]+ 286.98718 153.5
[M+H-H2O]+ 231.02128 144.0
[M+HCOO]- 293.02222 166.5
[M+CH3COO]- 307.03787 187.4
[M+Na-2H]- 268.99869 153.4
[M]+ 248.02347 150.9
[M]- 248.02457 150.9
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