CID 1350326

2-bromo-n-(2-methoxy-5-nitrophenyl)benzamide

Structural Information

Molecular Formula
C14H11BrN2O4
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C14H11BrN2O4/c1-21-13-7-6-9(17(19)20)8-12(13)16-14(18)10-4-2-3-5-11(10)15/h2-8H,1H3,(H,16,18)
InChIKey
IZWFZSBYHQGPQX-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-methoxy-5-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

349.99023 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.997506 169.8
[M+Na]+ 372.979448 178.6
[M-H]- 348.982954 178.9
[M+NH4]+ 368.024053 185.1
[M+K]+ 388.953388 163.7
[M+H-H2O]+ 332.987490 171.2
[M+HCOO]- 394.988431 192.7
[M+CH3COO]- 409.004081 204.0
[M+Na-2H]- 370.964896 176.4
[M]+ 349.98968142 188.4
[M]- 349.99077858 188.4
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.