CID 20976025

1h-indole-3-ethanamine, 4-fluoro-, hydrochloride (1:1)

Structural Information

Molecular Formula
C10H11FN2
SMILES
C1=CC2=C(C(=C1)F)C(=CN2)CCN
InChI
InChI=1S/C10H11FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4-5,12H2
InChIKey
QTNVDKAISCZLHR-UHFFFAOYSA-N
Compound name
2-(4-fluoro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

178.09062 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09790 134.3
[M+Na]+ 201.07984 144.5
[M-H]- 177.08334 135.2
[M+NH4]+ 196.12444 155.4
[M+K]+ 217.05378 139.5
[M+H-H2O]+ 161.08788 127.5
[M+HCOO]- 223.08882 157.3
[M+CH3COO]- 237.10447 147.8
[M+Na-2H]- 199.06529 140.7
[M]+ 178.09007 132.3
[M]- 178.09117 132.3
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