CID 69026

Dibromonitromethane

Structural Information

Molecular Formula

SMILES

C([N+](=O)[O-])(Br)Br

InChI

InChI=1S/CHBr2NO2/c2-1(3)4(5)6/h1H

InChIKey

GQEVYCCMYUNRHJ-UHFFFAOYSA-N

Compound name

dibromo(nitro)methane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 41
Patents: 216.8374 Da
Monoisotopic Mass: 1.8
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]+	217.84468	128.7
[M+Na]+	239.82662	139.6
[M-H]-	215.83012	133.2
[M+NH4]+	234.87122	149.6
[M+K]+	255.80056	122.2
[M+H-H2O]+	199.83466	139.8
[M+HCOO]-	261.83560	146.0
[M+CH3COO]-	275.85125	187.0
[M+Na-2H]-	237.81207	137.3
[M]+	216.83685	161.5
[M]-	216.83795	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe