CID 3048278

1,3,4-thiadiazole-2-sulfonamide, 5-phenyl-

Structural Information

Molecular Formula
C8H7N3O2S2
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)S(=O)(=O)N
InChI
InChI=1S/C8H7N3O2S2/c9-15(12,13)8-11-10-7(14-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
InChIKey
RGUOGOHDRMUYGX-UHFFFAOYSA-N
Compound name
5-phenyl-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.99797 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00525 149.2
[M+Na]+ 263.98719 160.2
[M-H]- 239.99069 153.8
[M+NH4]+ 259.03179 166.2
[M+K]+ 279.96113 155.0
[M+H-H2O]+ 223.99523 142.8
[M+HCOO]- 285.99617 162.9
[M+CH3COO]- 300.01182 186.1
[M+Na-2H]- 261.97264 152.1
[M]+ 240.99742 150.8
[M]- 240.99852 150.8
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