CID 3033666

1,3,4-oxadiazole-2-thiol, 5-(1-(p-chlorophenoxy)-1-methylethyl)-

Structural Information

Molecular Formula
C11H11ClN2O2S
SMILES
CC(C)(C1=NNC(=S)O1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN2O2S/c1-11(2,9-13-14-10(17)15-9)16-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H,14,17)
InChIKey
MWCDNHLSXYFBNB-UHFFFAOYSA-N
Compound name
5-[2-(4-chlorophenoxy)propan-2-yl]-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.030256 157.5
[M+Na]+ 293.012198 168.6
[M-H]- 269.015704 162.1
[M+NH4]+ 288.056803 173.0
[M+K]+ 308.986138 164.0
[M+H-H2O]+ 253.020240 151.5
[M+HCOO]- 315.021181 168.2
[M+CH3COO]- 329.036831 189.2
[M+Na-2H]- 290.997646 160.3
[M]+ 270.02243142 162.5
[M]- 270.02352858 162.5
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.