CID 71758564

3-chloro-5-(thiophen-3-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C6H3ClN2OS
SMILES
C1=CSC=C1C2=NC(=NO2)Cl
InChI
InChI=1S/C6H3ClN2OS/c7-6-8-5(10-9-6)4-1-2-11-3-4/h1-3H
InChIKey
MNIKHGQWVNBZRG-UHFFFAOYSA-N
Compound name
3-chloro-5-thiophen-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.96545 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.972726 132.1
[M+Na]+ 208.954668 145.7
[M-H]- 184.958174 138.7
[M+NH4]+ 203.999273 153.4
[M+K]+ 224.928608 143.4
[M+H-H2O]+ 168.962710 126.6
[M+HCOO]- 230.963651 149.3
[M+CH3COO]- 244.979301 147.8
[M+Na-2H]- 206.940116 135.7
[M]+ 185.96490142 138.9
[M]- 185.96599858 138.9
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.