CID 10105734

4-(phenylcarbamoyl)benzoic acid

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H11NO3/c16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h1-9H,(H,15,16)(H,17,18)
InChIKey
LNCHBBZGCITQPQ-UHFFFAOYSA-N
Compound name
4-(phenylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

241.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 152.1
[M+Na]+ 264.06312 158.2
[M-H]- 240.06662 157.6
[M+NH4]+ 259.10772 168.0
[M+K]+ 280.03706 154.9
[M+H-H2O]+ 224.07116 144.6
[M+HCOO]- 286.07210 175.0
[M+CH3COO]- 300.08775 191.2
[M+Na-2H]- 262.04857 156.9
[M]+ 241.07335 150.5
[M]- 241.07445 150.5
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