CID 15954049

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

Structural Information

Molecular Formula
C11H12N2O3S2
SMILES
CCC(C1=NNC(=S)O1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O3S2/c1-2-9(10-12-13-11(17)16-10)18(14,15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,13,17)
InChIKey
IXSAYMQDXPOYCC-UHFFFAOYSA-N
Compound name
5-[1-(benzenesulfonyl)propyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.02893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03621 161.0
[M+Na]+ 307.01815 170.9
[M-H]- 283.02165 165.1
[M+NH4]+ 302.06275 174.8
[M+K]+ 322.99209 166.2
[M+H-H2O]+ 267.02619 154.9
[M+HCOO]- 329.02713 170.7
[M+CH3COO]- 343.04278 190.5
[M+Na-2H]- 305.00360 162.1
[M]+ 284.02838 164.0
[M]- 284.02948 164.0
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.