CID 2757419

3-biphenyl-4'-chloro-carboxylic acid

Structural Information

Molecular Formula
C13H9ClO2
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H9ClO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
InChIKey
OWFMSKZVCPGDEJ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

232.02911 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.036386 146.5
[M+Na]+ 255.018328 155.8
[M-H]- 231.021834 152.3
[M+NH4]+ 250.062933 164.6
[M+K]+ 270.992268 150.4
[M+H-H2O]+ 215.026370 140.8
[M+HCOO]- 277.027311 164.9
[M+CH3COO]- 291.042961 186.6
[M+Na-2H]- 253.003776 151.6
[M]+ 232.02856142 148.0
[M]- 232.02965858 148.0
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