CID 11334344

5-(benzenesulfonylmethyl)-3h-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C9H8N2O3S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC2=NNC(=S)O2
InChI
InChI=1S/C9H8N2O3S2/c12-16(13,7-4-2-1-3-5-7)6-8-10-11-9(15)14-8/h1-5H,6H2,(H,11,15)
InChIKey
YHGIORPNKKIELU-UHFFFAOYSA-N
Compound name
5-(benzenesulfonylmethyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.99763 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00491 152.7
[M+Na]+ 278.98685 163.9
[M-H]- 254.99035 157.1
[M+NH4]+ 274.03145 167.7
[M+K]+ 294.96079 159.2
[M+H-H2O]+ 238.99489 146.9
[M+HCOO]- 300.99583 164.2
[M+CH3COO]- 315.01148 183.8
[M+Na-2H]- 276.97230 155.5
[M]+ 255.99708 155.6
[M]- 255.99818 155.6
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

No patent data available for this compound.