CID 769397

2,4-dichloro-n-(2-ethylphenyl)benzamide

Structural Information

Molecular Formula
C15H13Cl2NO
SMILES
CCC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl2NO/c1-2-10-5-3-4-6-14(10)18-15(19)12-8-7-11(16)9-13(12)17/h3-9H,2H2,1H3,(H,18,19)
InChIKey
OMFRFHIWKIZMCR-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(2-ethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.0374 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04468 163.7
[M+Na]+ 316.02662 173.1
[M-H]- 292.03012 169.9
[M+NH4]+ 311.07122 180.5
[M+K]+ 332.00056 166.2
[M+H-H2O]+ 276.03466 157.9
[M+HCOO]- 338.03560 178.5
[M+CH3COO]- 352.05125 202.8
[M+Na-2H]- 314.01207 166.9
[M]+ 293.03685 167.2
[M]- 293.03795 167.2
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

No patent data available for this compound.