CID 710589

2-bromo-n-(3,4-dimethylphenyl)benzamide

Structural Information

Molecular Formula
C15H14BrNO
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Br)C
InChI
InChI=1S/C15H14BrNO/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKey
IDLSRDSIECGYON-UHFFFAOYSA-N
Compound name
2-bromo-N-(3,4-dimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

303.02588 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03316 161.4
[M+Na]+ 326.01510 172.1
[M-H]- 302.01860 170.8
[M+NH4]+ 321.05970 180.1
[M+K]+ 341.98904 160.0
[M+H-H2O]+ 286.02314 160.0
[M+HCOO]- 348.02408 183.1
[M+CH3COO]- 362.03973 203.7
[M+Na-2H]- 324.00055 166.7
[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

No patent data available for this compound.