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

0
Patents

186.0463 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 136.3
[M+Na]+ 209.03552 146.8
[M-H]- 185.03902 141.5
[M+NH4]+ 204.08012 159.6
[M+K]+ 225.00946 145.1
[M+H-H2O]+ 169.04356 130.6
[M+HCOO]- 231.04450 155.1
[M+CH3COO]- 245.06015 150.6
[M+Na-2H]- 207.02097 138.1
[M]+ 186.04575 137.6
[M]- 186.04685 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

No patent data available for this compound.