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]+ 271.03026 157.5
[M+Na]+ 293.01220 168.6
[M-H]- 269.01570 162.1
[M+NH4]+ 288.05680 173.0
[M+K]+ 308.98614 164.0
[M+H-H2O]+ 253.02024 151.5
[M+HCOO]- 315.02118 168.2
[M+CH3COO]- 329.03683 189.2
[M+Na-2H]- 290.99765 160.3
[M]+ 270.02243 162.5
[M]- 270.02353 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.