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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99420 135.8
[M+Na]+ 217.97614 148.8
[M-H]- 193.97964 137.0
[M+NH4]+ 213.02074 155.0
[M+K]+ 233.95008 145.7
[M+H-H2O]+ 177.98418 130.3
[M+HCOO]- 239.98512 148.1
[M+CH3COO]- 254.00077 177.3
[M+Na-2H]- 215.96159 139.0
[M]+ 194.98637 141.4
[M]- 194.98747 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.