CID 2757951

4-(3-cyanophenyl)benzoic acid

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C#N
InChI
InChI=1S/C14H9NO2/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-8H,(H,16,17)
InChIKey
ITRBFYPHDCHMCY-UHFFFAOYSA-N
Compound name
4-(3-cyanophenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

223.06332 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 151.2
[M+Na]+ 246.05254 164.9
[M+NH4]+ 241.09714 156.0
[M+K]+ 262.02648 154.9
[M-H]- 222.05604 147.6
[M+Na-2H]- 244.03799 157.1
[M]+ 223.06277 151.4
[M]- 223.06387 151.4
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