CID 234762

16806-29-4

Structural Information

Molecular Formula
C8H8N4O2S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=CS2
InChI
InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
InChIKey
ATEAASNFYTUARU-UHFFFAOYSA-N
Compound name
4-amino-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

59
Patents

256.00888 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01616 151.6
[M+Na]+ 278.99810 161.5
[M-H]- 255.00160 155.9
[M+NH4]+ 274.04270 167.5
[M+K]+ 294.97204 156.0
[M+H-H2O]+ 239.00614 144.6
[M+HCOO]- 301.00708 166.2
[M+CH3COO]- 315.02273 191.1
[M+Na-2H]- 276.98355 155.5
[M]+ 256.00833 152.4
[M]- 256.00943 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe