CID 64265499

1343395-09-4

Structural Information

Molecular Formula
C4H6ClN3O2S
SMILES
CS(=O)(=O)CC1=NC(=NN1)Cl
InChI
InChI=1S/C4H6ClN3O2S/c1-11(9,10)2-3-6-4(5)8-7-3/h2H2,1H3,(H,6,7,8)
InChIKey
MEYWNWACJDJMFO-UHFFFAOYSA-N
Compound name
3-chloro-5-(methylsulfonylmethyl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.98692 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99420 139.1
[M+Na]+ 217.97614 150.0
[M+NH4]+ 213.02074 145.4
[M+K]+ 233.95008 145.6
[M-H]- 193.97964 136.7
[M+Na-2H]- 215.96159 142.4
[M]+ 194.98637 140.4
[M]- 194.98747 140.4
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.