CID 43113950

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

Structural Information

Molecular Formula
C8H7ClN2OS
SMILES
CC(C1=NC(=NO1)C2=CC=CS2)Cl
InChI
InChI=1S/C8H7ClN2OS/c1-5(9)8-10-7(11-12-8)6-3-2-4-13-6/h2-5H,1H3
InChIKey
SFVRNPSCAPVOQZ-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.99677 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00405 141.7
[M+Na]+ 236.98599 154.1
[M-H]- 212.98949 148.2
[M+NH4]+ 232.03059 161.8
[M+K]+ 252.95993 151.7
[M+H-H2O]+ 196.99403 135.9
[M+HCOO]- 258.99497 157.2
[M+CH3COO]- 273.01062 156.4
[M+Na-2H]- 234.97144 143.2
[M]+ 213.99622 148.7
[M]- 213.99732 148.7
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.