CID 3087135

Brn 5965078

Structural Information

Molecular Formula
C8H4ClN3O2S2
SMILES
C1=CSC2=C1S(=O)(=O)N=C2N3C=C(C=N3)Cl
InChI
InChI=1S/C8H4ClN3O2S2/c9-5-3-10-12(4-5)8-7-6(1-2-15-7)16(13,14)11-8/h1-4H
InChIKey
SEFKNVCIUBGABJ-UHFFFAOYSA-N
Compound name
3-(4-chloropyrazol-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

272.94336 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.95064 154.4
[M+Na]+ 295.93258 172.0
[M-H]- 271.93608 161.8
[M+NH4]+ 290.97718 177.9
[M+K]+ 311.90652 167.6
[M+H-H2O]+ 255.94062 151.2
[M+HCOO]- 317.94156 167.0
[M+CH3COO]- 331.95721 169.6
[M+Na-2H]- 293.91803 154.6
[M]+ 272.94281 164.5
[M]- 272.94391 164.5
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.