CID 132398555

3-bromo-5-iodo-1-methyl-1h-1,2,4-triazole

Structural Information

Molecular Formula

C₃H₃BrIN₃

SMILES

CN1C(=NC(=N1)Br)I

InChI

InChI=1S/C3H3BrIN3/c1-8-3(5)6-2(4)7-8/h1H3

InChIKey

UXONCJMEAZUTKB-UHFFFAOYSA-N

Compound name

3-bromo-5-iodo-1-methyl-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.8555 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]+	287.86278	138.2
[M+Na]+	309.84472	135.5
[M+NH4]+	304.88932	138.9
[M+K]+	325.81866	139.9
[M-H]-	285.84822	131.6
[M+Na-2H]-	307.83017	130.3
[M]+	286.85495	133.8
[M]-	286.85605	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.