CID 854433

N-(4-bromo-3-methylphenyl)-3-chlorobenzamide

Structural Information

Molecular Formula
C14H11BrClNO
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Cl)Br
InChI
InChI=1S/C14H11BrClNO/c1-9-7-12(5-6-13(9)15)17-14(18)10-3-2-4-11(16)8-10/h2-8H,1H3,(H,17,18)
InChIKey
UNGNWWPNJHLENX-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.97125 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.97853 162.4
[M+Na]+ 345.96047 174.6
[M-H]- 321.96397 171.8
[M+NH4]+ 341.00507 181.2
[M+K]+ 361.93441 160.7
[M+H-H2O]+ 305.96851 161.9
[M+HCOO]- 367.96945 180.1
[M+CH3COO]- 381.98510 204.4
[M+Na-2H]- 343.94592 167.8
[M]+ 322.97070 182.6
[M]- 322.97180 182.6
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.