CID 4777912

17952-80-6

Structural Information

Molecular Formula

C₁₁H₁₁FN₂

SMILES

C1CNCC2=C1C3=C(N2)C=CC(=C3)F

InChI

InChI=1S/C11H11FN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5,13-14H,3-4,6H2

InChIKey

ZRBOYHOKTLJAAM-UHFFFAOYSA-N

Compound name

6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 190.09062 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.09790	138.8
[M+Na]+	213.07984	151.6
[M+NH4]+	208.12444	147.8
[M+K]+	229.05378	146.0
[M-H]-	189.08334	139.2
[M+Na-2H]-	211.06529	143.8
[M]+	190.09007	140.6
[M]-	190.09117	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe