CID 835434

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

259.0764 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08368 157.9
[M+Na]+ 282.06562 165.0
[M-H]- 258.06912 164.2
[M+NH4]+ 277.11022 175.0
[M+K]+ 298.03956 159.3
[M+H-H2O]+ 242.07366 150.9
[M+HCOO]- 304.07460 177.8
[M+CH3COO]- 318.09025 196.1
[M+Na-2H]- 280.05107 163.3
[M]+ 259.07585 159.3
[M]- 259.07695 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

No patent data available for this compound.