CID 89954370

2-ethyl-2h-1,2,3-triazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₆ClN₃O₂S

SMILES

CCN1N=CC(=N1)S(=O)(=O)Cl

InChI

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

InChIKey

MRXMYHDAQKAGAP-UHFFFAOYSA-N

Compound name

2-ethyltriazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 194.98692 Da
Monoisotopic Mass: 0.9
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	138.9
[M+Na]+	217.97614	150.4
[M+NH4]+	213.02074	145.6
[M+K]+	233.95008	145.7
[M-H]-	193.97964	137.1
[M+Na-2H]-	215.96159	142.9
[M]+	194.98637	140.5
[M]-	194.98747	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe