CID 3087134

Brn 5956021

Structural Information

Molecular Formula
C8H5N3O2S2
SMILES
C1=CN(N=C1)C2=NS(=O)(=O)C3=C2SC=C3
InChI
InChI=1S/C8H5N3O2S2/c12-15(13)6-2-5-14-7(6)8(10-15)11-4-1-3-9-11/h1-5H
InChIKey
BEMFASLOMFLVJC-UHFFFAOYSA-N
Compound name
3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.98232 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98960 146.9
[M+Na]+ 261.97154 163.5
[M-H]- 237.97504 154.1
[M+NH4]+ 257.01614 170.8
[M+K]+ 277.94548 160.4
[M+H-H2O]+ 221.97958 143.2
[M+HCOO]- 283.98052 164.4
[M+CH3COO]- 297.99617 162.4
[M+Na-2H]- 259.95699 148.3
[M]+ 238.98177 155.3
[M]- 238.98287 155.3
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

No patent data available for this compound.