CID 2814392

2-(3-chlorothiophen-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

Structural Information

Molecular Formula
C13H6ClF3N2OS
SMILES
C1=CC=C(C(=C1)C2=NN=C(O2)C3=C(C=CS3)Cl)C(F)(F)F
InChI
InChI=1S/C13H6ClF3N2OS/c14-9-5-6-21-10(9)12-19-18-11(20-12)7-3-1-2-4-8(7)13(15,16)17/h1-6H
InChIKey
OSMAFGZNXPQDEL-UHFFFAOYSA-N
Compound name
2-(3-chlorothiophen-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.98416 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.99144 170.8
[M+Na]+ 352.97338 182.9
[M+NH4]+ 348.01798 177.0
[M+K]+ 368.94732 178.0
[M-H]- 328.97688 171.7
[M+Na-2H]- 350.95883 177.0
[M]+ 329.98361 173.4
[M]- 329.98471 173.4
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.