CID 3087137

Brn 5976246

Structural Information

Molecular Formula
C10H8ClN3O2S2
SMILES
CC1=C(C(=NN1C2=NS(=O)(=O)C3=C2SC=C3)C)Cl
InChI
InChI=1S/C10H8ClN3O2S2/c1-5-8(11)6(2)14(12-5)10-9-7(3-4-17-9)18(15,16)13-10/h3-4H,1-2H3
InChIKey
KHDGZJRDGAXZEU-UHFFFAOYSA-N
Compound name
3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.97464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.98192 162.1
[M+Na]+ 323.96386 180.2
[M-H]- 299.96736 169.8
[M+NH4]+ 319.00846 185.0
[M+K]+ 339.93780 175.2
[M+H-H2O]+ 283.97190 159.4
[M+HCOO]- 345.97284 173.9
[M+CH3COO]- 359.98849 177.1
[M+Na-2H]- 321.94931 160.4
[M]+ 300.97409 173.6
[M]- 300.97519 173.6
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.