CID 710602

N-(3-chloro-4-methylphenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C15H14ClNO
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)Cl
InChI
InChI=1S/C15H14ClNO/c1-10-3-6-12(7-4-10)15(18)17-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3,(H,17,18)
InChIKey
PNIOWOQYMNHBHJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

259.0764 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08368 157.4
[M+Na]+ 282.06562 166.4
[M-H]- 258.06912 164.5
[M+NH4]+ 277.11022 175.2
[M+K]+ 298.03956 160.9
[M+H-H2O]+ 242.07366 151.0
[M+HCOO]- 304.07460 177.3
[M+CH3COO]- 318.09025 198.4
[M+Na-2H]- 280.05107 161.4
[M]+ 259.07585 159.6
[M]- 259.07695 159.6
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