CID 673840

2-bromo-n-(2-phenylethyl)benzamide

Structural Information

Molecular Formula
C15H14BrNO
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C15H14BrNO/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
PTSZJZZJBOXAFH-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

303.02588 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03316 162.2
[M+Na]+ 326.01510 171.1
[M-H]- 302.01860 170.8
[M+NH4]+ 321.05970 180.2
[M+K]+ 341.98904 158.9
[M+H-H2O]+ 286.02314 160.5
[M+HCOO]- 348.02408 183.9
[M+CH3COO]- 362.03973 201.5
[M+Na-2H]- 324.00055 168.7
[M]+ 303.02533 179.8
[M]- 303.02643 179.8
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