CID 155819637

2470436-41-8

Structural Information

Molecular Formula

C₃H₃BrClN₃O₂S

SMILES

CN1N=C(C(=N1)Br)S(=O)(=O)Cl

InChI

InChI=1S/C3H3BrClN3O2S/c1-8-6-2(4)3(7-8)11(5,9)10/h1H3

InChIKey

JYOPEGAYIAWUCO-UHFFFAOYSA-N

Compound name

5-bromo-2-methyltriazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.88177 Da
Monoisotopic Mass: 1.6
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]+	259.88905	130.6
[M+Na]+	281.87099	147.8
[M-H]-	257.87449	135.1
[M+NH4]+	276.91559	151.3
[M+K]+	297.84493	135.7
[M+H-H2O]+	241.87903	131.7
[M+HCOO]-	303.87997	141.9
[M+CH3COO]-	317.89562	184.7
[M+Na-2H]-	279.85644	137.0
[M]+	258.88122	154.3
[M]-	258.88232	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.