CID 693003

N-(3,4-dichlorophenyl)-3-methylbenzamide

Structural Information

Molecular Formula
C14H11Cl2NO
SMILES
CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO/c1-9-3-2-4-10(7-9)14(18)17-11-5-6-12(15)13(16)8-11/h2-8H,1H3,(H,17,18)
InChIKey
UTSFDDXXONJZBV-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

279.02176 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.02904 159.8
[M+Na]+ 302.01098 176.2
[M+NH4]+ 297.05558 169.3
[M+K]+ 317.98492 167.0
[M-H]- 278.01448 165.2
[M+Na-2H]- 299.99643 169.5
[M]+ 279.02121 164.5
[M]- 279.02231 164.5
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