CID 101293

2-bromo-5-nitroanisole

Structural Information

Molecular Formula

C₇H₆BrNO₃

SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3

InChIKey

NTKADLOYTKVXQN-UHFFFAOYSA-N

Compound name

1-bromo-2-methoxy-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 678
Patents: 230.95311 Da
Monoisotopic Mass: 2.8
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]+	231.96039	140.7
[M+Na]+	253.94233	145.0
[M+NH4]+	248.98693	145.6
[M+K]+	269.91627	147.4
[M-H]-	229.94583	142.3
[M+Na-2H]-	251.92778	144.2
[M]+	230.95256	140.5
[M]-	230.95366	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe