CID 10014426

163239-22-3

Structural Information

Molecular Formula
C15H11FN2
SMILES
C1=CC(=CN=C1)/C=C/C2=CNC3=C2C=CC(=C3)F
InChI
InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
InChIKey
YBSDQTBCNYWBMX-ONEGZZNKSA-N
Compound name
6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

36
Patents

238.09062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09790 153.0
[M+Na]+ 261.07984 168.4
[M+NH4]+ 256.12444 161.4
[M+K]+ 277.05378 161.1
[M-H]- 237.08334 155.6
[M+Na-2H]- 259.06529 161.9
[M]+ 238.09007 156.0
[M]- 238.09117 156.0
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