CID 3033664

1,3,4-oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)ethyl)-

Structural Information

Molecular Formula
C11H11ClN2O2S
SMILES
CC1=C(C=CC(=C1)OCCC2=NNC(=S)O2)Cl
InChI
InChI=1S/C11H11ClN2O2S/c1-7-6-8(2-3-9(7)12)15-5-4-10-13-14-11(17)16-10/h2-3,6H,4-5H2,1H3,(H,14,17)
InChIKey
IQHFUSJYXCNNQL-UHFFFAOYSA-N
Compound name
5-[2-(4-chloro-3-methylphenoxy)ethyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.02298 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03026 158.1
[M+Na]+ 293.01220 172.5
[M+NH4]+ 288.05680 165.9
[M+K]+ 308.98614 165.3
[M-H]- 269.01570 161.6
[M+Na-2H]- 290.99765 163.9
[M]+ 270.02243 161.9
[M]- 270.02353 161.9
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

No patent data available for this compound.