CID 22252686

3-bromo-n-methyl-5-nitrobenzamide

Structural Information

Molecular Formula
C8H7BrN2O3
SMILES
CNC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C8H7BrN2O3/c1-10-8(12)5-2-6(9)4-7(3-5)11(13)14/h2-4H,1H3,(H,10,12)
InChIKey
HDFRUPQKYIBRNL-UHFFFAOYSA-N
Compound name
3-bromo-N-methyl-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

257.964 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97128 145.7
[M+Na]+ 280.95322 156.0
[M-H]- 256.95672 152.2
[M+NH4]+ 275.99782 165.0
[M+K]+ 296.92716 141.5
[M+H-H2O]+ 240.96126 148.7
[M+HCOO]- 302.96220 169.2
[M+CH3COO]- 316.97785 187.9
[M+Na-2H]- 278.93867 153.5
[M]+ 257.96345 163.0
[M]- 257.96455 163.0
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

patents stripe