CID 72218196

1-ethyl-1h-1,2,3-triazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₆ClN₃O₂S

SMILES

CCN1C(=CN=N1)S(=O)(=O)Cl

InChI

InChI=1S/C4H6ClN3O2S/c1-2-8-4(3-6-7-8)11(5,9)10/h3H,2H2,1H3

InChIKey

ONHFIKAZRZQNOM-UHFFFAOYSA-N

Compound name

3-ethyltriazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 194.98692 Da
Monoisotopic Mass: 0.3
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	136.1
[M+Na]+	217.97614	148.2
[M-H]-	193.97964	136.9
[M+NH4]+	213.02074	155.0
[M+K]+	233.95008	145.2
[M+H-H2O]+	177.98418	130.2
[M+HCOO]-	239.98512	148.4
[M+CH3COO]-	254.00077	176.2
[M+Na-2H]-	215.96159	139.9
[M]+	194.98637	141.3
[M]-	194.98747	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe