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 153.0
[M+Na]+ 278.99810 162.9
[M+NH4]+ 274.04270 158.6
[M+K]+ 294.97204 157.3
[M-H]- 255.00160 153.0
[M+Na-2H]- 276.98355 157.2
[M]+ 256.00833 154.9
[M]- 256.00943 154.9
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

patents stripe