CID 3014200

3418-95-9

Structural Information

Molecular Formula
C15H14ClNO
SMILES
C1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClNO/c16-14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)
InChIKey
RFZCESJZKQWEOA-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

patents stripe