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 174.6
[M+Na]+ 354.01082 185.0
[M-H]- 330.01432 179.7
[M+NH4]+ 349.05542 189.4
[M+K]+ 369.98476 178.7
[M+H-H2O]+ 314.01886 168.6
[M+HCOO]- 376.01980 181.4
[M+CH3COO]- 390.03545 202.9
[M+Na-2H]- 351.99627 176.6
[M]+ 331.02105 179.9
[M]- 331.02215 179.9
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.