CID 15954042

5-[1-(benzenesulfonyl)ethyl]-3h-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C10H10N2O3S2
SMILES
CC(C1=NNC(=S)O1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O3S2/c1-7(9-11-12-10(16)15-9)17(13,14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,16)
InChIKey
ICWSPHYNKUFFJH-UHFFFAOYSA-N
Compound name
5-[1-(benzenesulfonyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.01328 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02056 156.7
[M+Na]+ 293.00250 167.1
[M-H]- 269.00600 161.1
[M+NH4]+ 288.04710 171.1
[M+K]+ 308.97644 162.7
[M+H-H2O]+ 253.01054 150.9
[M+HCOO]- 315.01148 166.9
[M+CH3COO]- 329.02713 187.5
[M+Na-2H]- 290.98795 158.3
[M]+ 270.01273 159.4
[M]- 270.01383 159.4
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

No patent data available for this compound.