CID 743525

1-(4-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

Structural Information

Molecular Formula
C16H11FN2O2S
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H11FN2O2S/c17-13-8-6-11(7-9-13)14(20)10-22-16-19-18-15(21-16)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
KPUUPZNXZNOWIA-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.05252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05980 168.6
[M+Na]+ 337.04174 178.4
[M-H]- 313.04524 175.9
[M+NH4]+ 332.08634 181.3
[M+K]+ 353.01568 173.9
[M+H-H2O]+ 297.04978 159.1
[M+HCOO]- 359.05072 184.9
[M+CH3COO]- 373.06637 180.2
[M+Na-2H]- 335.02719 169.7
[M]+ 314.05197 171.8
[M]- 314.05307 171.8
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

No patent data available for this compound.