CID 10046

Tribromonitromethane

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/CBr3NO2/c2-1(3,4)5(6)7

InChIKey

QQZIUHOKWDFXEY-UHFFFAOYSA-N

Compound name

tribromo(nitro)methane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 294
Patents: 294.74792 Da
Monoisotopic Mass: 2.5
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]+	295.75520	143.3
[M+Na]+	317.73714	151.9
[M-H]-	293.74064	147.4
[M+NH4]+	312.78174	159.1
[M+K]+	333.71108	134.1
[M+H-H2O]+	277.74518	159.6
[M+HCOO]-	339.74612	153.9
[M+CH3COO]-	353.76177	209.5
[M+Na-2H]-	315.72259	150.1
[M]+	294.74737	183.6
[M]-	294.74847	183.6

Literature stripe

literature stripe

Patent stripe

patents stripe