CID 9838729

327056-26-8

Structural Information

Molecular Formula
C14H6F2N4O
SMILES
C1=CC(=NC=C1F)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F
InChI
InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
InChIKey
RBSPCALDSNXWEP-UHFFFAOYSA-N
Compound name
3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

106
Patents

284.05096 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05824 166.2
[M+Na]+ 307.04018 180.5
[M+NH4]+ 302.08478 168.9
[M+K]+ 323.01412 171.6
[M-H]- 283.04368 161.0
[M+Na-2H]- 305.02563 171.2
[M]+ 284.05041 166.0
[M]- 284.05151 166.0
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

patents stripe