CID 4425285

2-chloro-n-(1,2-diphenylethyl)acetamide

Structural Information

Molecular Formula
C16H16ClNO
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)CCl
InChI
InChI=1S/C16H16ClNO/c17-12-16(19)18-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)
InChIKey
JBFGAYHXKQXCTD-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,2-diphenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

273.09204 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09932 163.5
[M+Na]+ 296.08126 177.5
[M+NH4]+ 291.12586 172.5
[M+K]+ 312.05520 168.7
[M-H]- 272.08476 168.6
[M+Na-2H]- 294.06671 173.1
[M]+ 273.09149 167.3
[M]- 273.09259 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

No patent data available for this compound.