CID 12317751

1,2-bis(bromomethyl)-3-nitrobenzene

Structural Information

Molecular Formula

C₈H₇Br₂NO₂

SMILES

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

InChI

InChI=1S/C8H7Br2NO2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H,4-5H2

InChIKey

IQGHMTSQJHRRFH-UHFFFAOYSA-N

Compound name

1,2-bis(bromomethyl)-3-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 306.88434 Da
Monoisotopic Mass: 2.9
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]+	307.89162	158.2
[M+Na]+	329.87356	153.6
[M+NH4]+	324.91816	160.1
[M+K]+	345.84750	160.7
[M-H]-	305.87706	159.6
[M+Na-2H]-	327.85901	159.0
[M]+	306.88379	156.8
[M]-	306.88489	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe