CID 924950

N-(2-bromophenyl)-3-chloro-4-methoxybenzamide

Structural Information

Molecular Formula
C14H11BrClNO2
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2Br)Cl
InChI
InChI=1S/C14H11BrClNO2/c1-19-13-7-6-9(8-11(13)16)14(18)17-12-5-3-2-4-10(12)15/h2-8H,1H3,(H,17,18)
InChIKey
GPSHFOIJHXCVOD-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-3-chloro-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.96616 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.973436 164.9
[M+Na]+ 361.955378 176.9
[M-H]- 337.958884 174.3
[M+NH4]+ 356.999983 183.0
[M+K]+ 377.929318 163.7
[M+H-H2O]+ 321.963420 164.2
[M+HCOO]- 383.964361 182.8
[M+CH3COO]- 397.980011 206.3
[M+Na-2H]- 359.940826 170.4
[M]+ 338.96561142 186.5
[M]- 338.96670858 186.5
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.