CID 2757415

73178-79-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

232.02911 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe