CID 602506

4-phenylbenzamide

Structural Information

Molecular Formula
C13H11NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C13H11NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)
InChIKey
LUQVCHRDAGWYMG-UHFFFAOYSA-N
Compound name
4-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6769
Patents

197.08406 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 142.0
[M+Na]+ 220.07328 149.2
[M-H]- 196.07678 148.5
[M+NH4]+ 215.11788 160.5
[M+K]+ 236.04722 145.5
[M+H-H2O]+ 180.08132 134.9
[M+HCOO]- 242.08226 166.6
[M+CH3COO]- 256.09791 186.4
[M+Na-2H]- 218.05873 148.1
[M]+ 197.08351 139.6
[M]- 197.08461 139.6
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