CID 200351

1553-52-2

Structural Information

Molecular Formula
C12H14ClN3O2S2
SMILES
CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H14ClN3O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,1-3H3,(H,15,16)
InChIKey
HQLOBCHPCJOPHH-UHFFFAOYSA-N
Compound name
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0216 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02888 176.9
[M+Na]+ 354.01082 188.0
[M+NH4]+ 349.05542 183.8
[M+K]+ 369.98476 180.5
[M-H]- 330.01432 178.4
[M+Na-2H]- 351.99627 182.2
[M]+ 331.02105 180.1
[M]- 331.02215 180.1
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.