CID 5049984

4-bromo-n-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C8H6BrN3O2S2
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=NN=CS2)Br
InChI
InChI=1S/C8H6BrN3O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12)
InChIKey
NASXRLLEFZKBLN-UHFFFAOYSA-N
Compound name
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.90848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.91576 142.4
[M+Na]+ 341.89770 156.9
[M-H]- 317.90120 150.2
[M+NH4]+ 336.94230 160.8
[M+K]+ 357.87164 143.7
[M+H-H2O]+ 301.90574 142.6
[M+HCOO]- 363.90668 155.5
[M+CH3COO]- 377.92233 196.1
[M+Na-2H]- 339.88315 149.3
[M]+ 318.90793 163.5
[M]- 318.90903 163.5
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

patents stripe