CID 105466366

1352906-02-5

Structural Information

Molecular Formula

C₁₀H₁₀ClFN₂

SMILES

C1=CC(=C(C2=C1NC=C2CCN)F)Cl

InChI

InChI=1S/C10H10ClFN2/c11-7-1-2-8-9(10(7)12)6(3-4-13)5-14-8/h1-2,5,14H,3-4,13H2

InChIKey

JHBDKZLEAAEHRH-UHFFFAOYSA-N

Compound name

2-(5-chloro-4-fluoro-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 212.05165 Da
Monoisotopic Mass: 2.1
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]+	213.05893	141.7
[M+Na]+	235.04087	153.5
[M-H]-	211.04437	142.6
[M+NH4]+	230.08547	162.4
[M+K]+	251.01481	146.7
[M+H-H2O]+	195.04891	135.6
[M+HCOO]-	257.04985	160.0
[M+CH3COO]-	271.06550	155.0
[M+Na-2H]-	233.02632	146.7
[M]+	212.05110	142.0
[M]-	212.05220	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe