CID 394906

Nsc698999

Structural Information

Molecular Formula
C8H7FN4O4S3
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N
InChI
InChI=1S/C8H7FN4O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,(H,11,13)(H2,10,14,15)
InChIKey
OFBTYCUOHYFQFF-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.96133 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.96861 171.3
[M+Na]+ 360.95055 181.2
[M-H]- 336.95405 173.2
[M+NH4]+ 355.99515 183.2
[M+K]+ 376.92449 173.4
[M+H-H2O]+ 320.95859 164.0
[M+HCOO]- 382.95953 177.9
[M+CH3COO]- 396.97518 203.3
[M+Na-2H]- 358.93600 174.9
[M]+ 337.96078 171.1
[M]- 337.96188 171.1
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.