CID 692233

2-chloro-n-phenethyl-benzamide

Structural Information

Molecular Formula
C15H14ClNO
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H14ClNO/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKey
PLSUZSSOFMKWLH-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7
Patents

259.0764 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe