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 156.0
[M+Na]+ 293.01220 167.7
[M-H]- 269.01570 160.6
[M+NH4]+ 288.05680 171.7
[M+K]+ 308.98614 162.5
[M+H-H2O]+ 253.02024 149.7
[M+HCOO]- 315.02118 168.2
[M+CH3COO]- 329.03683 168.7
[M+Na-2H]- 290.99765 157.3
[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.