CID 2777523

6-(trifluoromethyl)indole

Structural Information

Molecular Formula

SMILES

C1=CC(=CC2=C1C=CN2)C(F)(F)F

InChI

InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H

InChIKey

BPYBYPREOVLFED-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 493
Patents: 185.04523 Da
Monoisotopic Mass: 3.8
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]+	186.05251	137.5
[M+Na]+	208.03445	147.8
[M+NH4]+	203.07905	144.2
[M+K]+	224.00839	143.5
[M-H]-	184.03795	134.5
[M+Na-2H]-	206.01990	142.4
[M]+	185.04468	137.9
[M]-	185.04578	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe