CID 710568

2-bromo-n-[(4-methylphenyl)methyl]benzamide

Structural Information

Molecular Formula
C15H14BrNO
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C15H14BrNO/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKey
LGOYBWKAINCSSY-UHFFFAOYSA-N
Compound name
2-bromo-N-[(4-methylphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

303.02588 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03316 161.9
[M+Na]+ 326.01510 171.7
[M-H]- 302.01860 170.8
[M+NH4]+ 321.05970 180.2
[M+K]+ 341.98904 159.5
[M+H-H2O]+ 286.02314 160.3
[M+HCOO]- 348.02408 183.6
[M+CH3COO]- 362.03973 202.6
[M+Na-2H]- 324.00055 167.7
[M]+ 303.02533 179.9
[M]- 303.02643 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.