CID 681971

62382-85-8

Structural Information

Molecular Formula
C9H7ClN2O2S
SMILES
C1=CC(=CC=C1OCC2=NNC(=S)O2)Cl
InChI
InChI=1S/C9H7ClN2O2S/c10-6-1-3-7(4-2-6)13-5-8-11-12-9(15)14-8/h1-4H,5H2,(H,12,15)
InChIKey
PDXDDOYYKNFNDC-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

241.99167 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99895 146.9
[M+Na]+ 264.98089 158.6
[M-H]- 240.98439 151.4
[M+NH4]+ 260.02549 163.4
[M+K]+ 280.95483 153.9
[M+H-H2O]+ 224.98893 140.7
[M+HCOO]- 286.98987 159.8
[M+CH3COO]- 301.00552 160.1
[M+Na-2H]- 262.96634 149.9
[M]+ 241.99112 151.7
[M]- 241.99222 151.7
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.