CID 3037991

3414-97-9

Structural Information

Molecular Formula
C8H8N4O2S2
SMILES
C1=CC(=CC=C1C2=NC(=S)NN2)S(=O)(=O)N
InChI
InChI=1S/C8H8N4O2S2/c9-16(13,14)6-3-1-5(2-4-6)7-10-8(15)12-11-7/h1-4H,(H2,9,13,14)(H2,10,11,12,15)
InChIKey
YLXGKDFREFSALU-UHFFFAOYSA-N
Compound name
4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.00888 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01616 153.3
[M+Na]+ 278.99810 164.3
[M-H]- 255.00160 154.0
[M+NH4]+ 274.04270 167.1
[M+K]+ 294.97204 156.4
[M+H-H2O]+ 239.00614 147.2
[M+HCOO]- 301.00708 162.8
[M+CH3COO]- 315.02273 164.0
[M+Na-2H]- 276.98355 154.6
[M]+ 256.00833 151.3
[M]- 256.00943 151.3
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