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]+ 339.97344 164.9
[M+Na]+ 361.95538 176.9
[M-H]- 337.95888 174.3
[M+NH4]+ 356.99998 183.0
[M+K]+ 377.92932 163.7
[M+H-H2O]+ 321.96342 164.2
[M+HCOO]- 383.96436 182.8
[M+CH3COO]- 397.98001 206.3
[M+Na-2H]- 359.94083 170.4
[M]+ 338.96561 186.5
[M]- 338.96671 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.