CID 50918090

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

Structural Information

Molecular Formula
C6H3ClN2OS
SMILES
C1=CSC(=C1)C2=NC(=NO2)Cl
InChI
InChI=1S/C6H3ClN2OS/c7-6-8-5(10-9-6)4-2-1-3-11-4/h1-3H
InChIKey
VLHJCPHPRWXLNE-UHFFFAOYSA-N
Compound name
3-chloro-5-thiophen-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.96545 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97273 132.1
[M+Na]+ 208.95467 145.7
[M-H]- 184.95817 138.7
[M+NH4]+ 203.99927 153.4
[M+K]+ 224.92861 143.4
[M+H-H2O]+ 168.96271 126.6
[M+HCOO]- 230.96365 149.3
[M+CH3COO]- 244.97930 147.8
[M+Na-2H]- 206.94012 135.7
[M]+ 185.96490 138.9
[M]- 185.96600 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.