CID 13448901

3-(4-fluorophenyl)-1h-indole

Structural Information

Molecular Formula
C14H10FN
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H10FN/c15-11-7-5-10(6-8-11)13-9-16-14-4-2-1-3-12(13)14/h1-9,16H
InChIKey
JFVIPMRWCFOHBG-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

211.07973 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08701 142.5
[M+Na]+ 234.06895 153.2
[M-H]- 210.07245 147.1
[M+NH4]+ 229.11355 162.3
[M+K]+ 250.04289 146.9
[M+H-H2O]+ 194.07699 134.6
[M+HCOO]- 256.07793 165.2
[M+CH3COO]- 270.09358 156.0
[M+Na-2H]- 232.05440 149.5
[M]+ 211.07918 141.1
[M]- 211.08028 141.1
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