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]+ 350.99751 169.8
[M+Na]+ 372.97945 178.6
[M-H]- 348.98295 178.9
[M+NH4]+ 368.02405 185.1
[M+K]+ 388.95339 163.7
[M+H-H2O]+ 332.98749 171.2
[M+HCOO]- 394.98843 192.7
[M+CH3COO]- 409.00408 204.0
[M+Na-2H]- 370.96490 176.4
[M]+ 349.98968 188.4
[M]- 349.99078 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.