CID 3087140

Brn 5991420

Structural Information

Molecular Formula
C14H8ClN3O2S2
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)C(=NS3(=O)=O)N4C=C(C=N4)Cl
InChI
InChI=1S/C14H8ClN3O2S2/c15-10-7-16-18(8-10)14-13-12(22(19,20)17-14)6-11(21-13)9-4-2-1-3-5-9/h1-8H
InChIKey
CZHZCMXKLNQMGU-UHFFFAOYSA-N
Compound name
3-(4-chloropyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.97464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.98192 176.5
[M+Na]+ 371.96386 194.0
[M-H]- 347.96736 187.2
[M+NH4]+ 367.00846 197.0
[M+K]+ 387.93780 187.9
[M+H-H2O]+ 331.97190 172.3
[M+HCOO]- 393.97284 188.9
[M+CH3COO]- 407.98849 190.5
[M+Na-2H]- 369.94931 175.3
[M]+ 348.97409 186.9
[M]- 348.97519 186.9
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.