CID 45051147

N-(3-benzylphenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C15H14ClNO
SMILES
C1=CC=C(C=C1)CC2=CC(=CC=C2)NC(=O)CCl
InChI
InChI=1S/C15H14ClNO/c16-11-15(18)17-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,17,18)
InChIKey
TYNFRIUJBLVRFF-UHFFFAOYSA-N
Compound name
N-(3-benzylphenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

259.0764 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.083676 157.9
[M+Na]+ 282.065618 165.0
[M-H]- 258.069124 164.2
[M+NH4]+ 277.110223 175.0
[M+K]+ 298.039558 159.3
[M+H-H2O]+ 242.073660 150.9
[M+HCOO]- 304.074601 177.8
[M+CH3COO]- 318.090251 196.1
[M+Na-2H]- 280.051066 163.3
[M]+ 259.07585142 159.3
[M]- 259.07694858 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe