CID 130116342

2247103-45-1

Structural Information

Molecular Formula

C₄H₆ClN₃O₂S

SMILES

C1=CN(N=N1)CCS(=O)(=O)Cl

InChI

InChI=1S/C4H6ClN3O2S/c5-11(9,10)4-3-8-2-1-6-7-8/h1-2H,3-4H2

InChIKey

KYRMTPYUXXZTJM-UHFFFAOYSA-N

Compound name

2-(triazol-1-yl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.98692 Da
Monoisotopic Mass: -0.2
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]+	195.99420	136.2
[M+Na]+	217.97614	147.5
[M-H]-	193.97964	136.7
[M+NH4]+	213.02074	154.8
[M+K]+	233.95008	144.5
[M+H-H2O]+	177.98418	130.0
[M+HCOO]-	239.98512	148.6
[M+CH3COO]-	254.00077	175.1
[M+Na-2H]-	215.96159	140.7
[M]+	194.98637	141.0
[M]-	194.98747	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.