CID 96646

N-(4-chlorophenyl)benzamide

Structural Information

Molecular Formula
C13H10ClNO
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H10ClNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
InChIKey
PJFPJLMLHHTWDZ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

118
Patents

231.04509 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05237 148.5
[M+Na]+ 254.03431 156.6
[M-H]- 230.03781 155.2
[M+NH4]+ 249.07891 166.8
[M+K]+ 270.00825 151.3
[M+H-H2O]+ 214.04235 142.1
[M+HCOO]- 276.04329 169.2
[M+CH3COO]- 290.05894 190.1
[M+Na-2H]- 252.01976 155.1
[M]+ 231.04454 149.2
[M]- 231.04564 149.2
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