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: 64
Patents: 257.964 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.97128	147.4
[M+Na]+	280.95322	150.1
[M+NH4]+	275.99782	151.3
[M+K]+	296.92716	153.2
[M-H]-	256.95672	148.7
[M+Na-2H]-	278.93867	149.9
[M]+	257.96345	146.7
[M]-	257.96455	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe