CID 836406

2,4-dichloro-n-phenethylbenzamide

Structural Information

Molecular Formula
C15H13Cl2NO
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl2NO/c16-12-6-7-13(14(17)10-12)15(19)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)
InChIKey
SHNULSZFUVUWNH-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0374 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04468 164.6
[M+Na]+ 316.02662 180.4
[M+NH4]+ 311.07122 174.0
[M+K]+ 332.00056 170.7
[M-H]- 292.03012 169.9
[M+Na-2H]- 314.01207 174.2
[M]+ 293.03685 169.1
[M]- 293.03795 169.1
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.