CID 710469

N-(3,5-dichlorophenyl)-2-phenylacetamide

Structural Information

Molecular Formula
C14H11Cl2NO
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO/c15-11-7-12(16)9-13(8-11)17-14(18)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,17,18)
InChIKey
PNXZOBQDRGMAHR-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

279.02176 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.02904 159.3
[M+Na]+ 302.01098 168.2
[M-H]- 278.01448 165.3
[M+NH4]+ 297.05558 176.3
[M+K]+ 317.98492 161.4
[M+H-H2O]+ 262.01902 153.5
[M+HCOO]- 324.01996 174.4
[M+CH3COO]- 338.03561 198.7
[M+Na-2H]- 299.99643 163.7
[M]+ 279.02121 162.1
[M]- 279.02231 162.1
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.