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]+ 271.030256 156.0
[M+Na]+ 293.012198 167.7
[M-H]- 269.015704 160.6
[M+NH4]+ 288.056803 171.7
[M+K]+ 308.986138 162.5
[M+H-H2O]+ 253.020240 149.7
[M+HCOO]- 315.021181 168.2
[M+CH3COO]- 329.036831 168.7
[M+Na-2H]- 290.997646 157.3
[M]+ 270.02243142 161.9
[M]- 270.02352858 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.