CID 347073

N-benzyl-2-chloro-benzamide

Structural Information

Molecular Formula
C14H12ClNO
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H12ClNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKey
XZGDVGQQACMHDH-UHFFFAOYSA-N
Compound name
N-benzyl-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

245.06075 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06803 153.2
[M+Na]+ 268.04997 160.8
[M-H]- 244.05347 159.7
[M+NH4]+ 263.09457 170.9
[M+K]+ 284.02391 155.3
[M+H-H2O]+ 228.05801 146.5
[M+HCOO]- 290.05895 173.5
[M+CH3COO]- 304.07460 193.1
[M+Na-2H]- 266.03542 159.2
[M]+ 245.06020 154.3
[M]- 245.06130 154.3
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