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-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

184
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 155.9
[M+Na]+ 307.04018 168.7
[M-H]- 283.04368 157.8
[M+NH4]+ 302.08478 166.0
[M+K]+ 323.01412 162.6
[M+H-H2O]+ 267.04822 137.1
[M+HCOO]- 329.04916 171.5
[M+CH3COO]- 343.06481 166.0
[M+Na-2H]- 305.02563 159.2
[M]+ 284.05041 150.2
[M]- 284.05151 150.2
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.