CID 6857731

F-peb f-18

Structural Information

Molecular Formula
C14H7FN2
SMILES
C1=CC=NC(=C1)C#CC2=CC(=CC(=C2)[18F])C#N
InChI
InChI=1S/C14H7FN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H/i15-1
InChIKey
MEZOEZSKPXUIJA-HUYCHCPVSA-N
Compound name
3-(18F)fluoranyl-5-(2-pyridin-2-ylethynyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

21
Patents

221.06186 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06914 158.0
[M+Na]+ 244.05108 169.0
[M-H]- 220.05458 159.6
[M+NH4]+ 239.09568 168.7
[M+K]+ 260.02502 161.8
[M+H-H2O]+ 204.05912 141.1
[M+HCOO]- 266.06006 167.9
[M+CH3COO]- 280.07571 164.8
[M+Na-2H]- 242.03653 160.0
[M]+ 221.06131 148.1
[M]- 221.06241 148.1
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