CID 43531677

1153039-20-3

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
C1CS(=O)(=O)CC1N2C=CC=N2
InChI
InChI=1S/C7H10N2O2S/c10-12(11)5-2-7(6-12)9-4-1-3-8-9/h1,3-4,7H,2,5-6H2
InChIKey
PFIFVPYNENWRNN-UHFFFAOYSA-N
Compound name
3-pyrazol-1-ylthiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.0463 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 136.3
[M+Na]+ 209.035518 146.8
[M-H]- 185.039024 141.5
[M+NH4]+ 204.080123 159.6
[M+K]+ 225.009458 145.1
[M+H-H2O]+ 169.043560 130.6
[M+HCOO]- 231.044501 155.1
[M+CH3COO]- 245.060151 150.6
[M+Na-2H]- 207.020966 138.1
[M]+ 186.04575142 137.6
[M]- 186.04684858 137.6
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