CID 346668

N-benzyl-4-chlorobenzamide

Structural Information

Molecular Formula
C14H12ClNO
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKey
LSMWDKIFKGLNSW-UHFFFAOYSA-N
Compound name
N-benzyl-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

245.06075 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06803 153.9
[M+Na]+ 268.04997 169.1
[M+NH4]+ 263.09457 163.4
[M+K]+ 284.02391 160.2
[M-H]- 244.05347 159.4
[M+Na-2H]- 266.03542 164.3
[M]+ 245.06020 158.1
[M]- 245.06130 158.1
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