CID 2869527

2-chloro-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula
C15H14ClNO
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H14ClNO/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16/h2-11H,1H3,(H,17,18)
InChIKey
PTFMGAMWYMRCPQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

259.0764 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08368 157.8
[M+Na]+ 282.06562 164.7
[M-H]- 258.06912 164.2
[M+NH4]+ 277.11022 174.9
[M+K]+ 298.03956 159.5
[M+H-H2O]+ 242.07366 151.1
[M+HCOO]- 304.07460 176.8
[M+CH3COO]- 318.09025 197.0
[M+Na-2H]- 280.05107 162.1
[M]+ 259.07585 158.7
[M]- 259.07695 158.7
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