CID 684056

23288-92-8

Structural Information

Molecular Formula
C8H4Cl2N2OS
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NNC(=S)O2
InChI
InChI=1S/C8H4Cl2N2OS/c9-4-1-2-5(6(10)3-4)7-11-12-8(14)13-7/h1-3H,(H,12,14)
InChIKey
KDACHYNPZYGPON-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

245.94214 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.94942 145.9
[M+Na]+ 268.93136 158.9
[M-H]- 244.93486 150.1
[M+NH4]+ 263.97596 162.8
[M+K]+ 284.90530 153.0
[M+H-H2O]+ 228.93940 140.6
[M+HCOO]- 290.94034 153.5
[M+CH3COO]- 304.95599 159.0
[M+Na-2H]- 266.91681 147.6
[M]+ 245.94159 150.0
[M]- 245.94269 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe