CID 531963

N-(3-chlorophenyl)-3-methylbenzamide

Structural Information

Molecular Formula
C14H12ClNO
SMILES
CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H12ClNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17)
InChIKey
PXBPMCNEAZKAKS-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

245.06075 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06803 153.6
[M+Na]+ 268.04997 169.2
[M+NH4]+ 263.09457 163.1
[M+K]+ 284.02391 160.5
[M-H]- 244.05347 159.2
[M+Na-2H]- 266.03542 163.7
[M]+ 245.06020 157.8
[M]- 245.06130 157.8
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