CID 720133

4-chloro-n-(3,4-dimethylphenyl)benzamide

Structural Information

Molecular Formula

C₁₅H₁₄ClNO

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C15H14ClNO/c1-10-3-8-14(9-11(10)2)17-15(18)12-4-6-13(16)7-5-12/h3-9H,1-2H3,(H,17,18)

InChIKey

SXFOCYOATNAWQS-UHFFFAOYSA-N

Compound name

4-chloro-N-(3,4-dimethylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 259.0764 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.083676	157.4
[M+Na]+	282.065618	166.4
[M-H]-	258.069124	164.5
[M+NH4]+	277.110223	175.2
[M+K]+	298.039558	160.9
[M+H-H2O]+	242.073660	151.0
[M+HCOO]-	304.074601	177.3
[M+CH3COO]-	318.090251	198.4
[M+Na-2H]-	280.051066	161.4
[M]+	259.07585142	159.6
[M]-	259.07694858	159.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.