CID 710607

N-(2,3-dichlorophenyl)-4-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

279.02176 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.029036 159.0
[M+Na]+ 302.010978 168.9
[M-H]- 278.014484 165.5
[M+NH4]+ 297.055583 176.4
[M+K]+ 317.984918 162.2
[M+H-H2O]+ 262.019020 153.5
[M+HCOO]- 324.019961 174.2
[M+CH3COO]- 338.035611 199.9
[M+Na-2H]- 299.996426 162.8
[M]+ 279.02121142 162.2
[M]- 279.02230858 162.2
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