CID 105449585

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

Structural Information

Molecular Formula

C₄H₆ClN₃O₂S

SMILES

CC1=C(N(N=N1)C)S(=O)(=O)Cl

InChI

InChI=1S/C4H6ClN3O2S/c1-3-4(11(5,9)10)8(2)7-6-3/h1-2H3

InChIKey

OTMZSAIXJKXVSM-UHFFFAOYSA-N

Compound name

3,5-dimethyltriazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.98692 Da
Monoisotopic Mass: 0.4
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]+	195.994196	135.8
[M+Na]+	217.976138	148.8
[M-H]-	193.979644	137.0
[M+NH4]+	213.020743	155.0
[M+K]+	233.950078	145.7
[M+H-H2O]+	177.984180	130.3
[M+HCOO]-	239.985121	148.1
[M+CH3COO]-	254.000771	177.3
[M+Na-2H]-	215.961586	139.0
[M]+	194.98637142	141.4
[M]-	194.98746858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.