CID 72218189

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

Structural Information

Molecular Formula
C4H6ClN3O2S
SMILES
CCN1C=C(N=N1)S(=O)(=O)Cl
InChI
InChI=1S/C4H6ClN3O2S/c1-2-8-3-4(6-7-8)11(5,9)10/h3H,2H2,1H3
InChIKey
BVELZTNYGZTNOI-UHFFFAOYSA-N
Compound name
1-ethyltriazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

194.98692 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.994196 136.1
[M+Na]+ 217.976138 148.2
[M-H]- 193.979644 136.9
[M+NH4]+ 213.020743 155.0
[M+K]+ 233.950078 145.2
[M+H-H2O]+ 177.984180 130.2
[M+HCOO]- 239.985121 148.4
[M+CH3COO]- 254.000771 176.2
[M+Na-2H]- 215.961586 139.9
[M]+ 194.98637142 141.3
[M]- 194.98746858 141.3
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

patents stripe