CID 2842779

2,4-dichloro-n-(3,5-dimethylphenyl)benzamide

Structural Information

Molecular Formula
C15H13Cl2NO
SMILES
CC1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C15H13Cl2NO/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-8H,1-2H3,(H,18,19)
InChIKey
HLRHAQLNYKJJBO-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(3,5-dimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

293.0374 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04468 163.4
[M+Na]+ 316.02662 173.7
[M-H]- 292.03012 170.0
[M+NH4]+ 311.07122 180.5
[M+K]+ 332.00056 166.9
[M+H-H2O]+ 276.03466 157.9
[M+HCOO]- 338.03560 178.2
[M+CH3COO]- 352.05125 204.0
[M+Na-2H]- 314.01207 165.9
[M]+ 293.03685 167.3
[M]- 293.03795 167.3
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