CID 46856440

1190315-48-0

Structural Information

Molecular Formula

C₈H₅F₃N₂

SMILES

C1=CNC2=CC(=NC=C21)C(F)(F)F

InChI

InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6-5(4-13-7)1-2-12-6/h1-4,12H

InChIKey

RQRNGNXMVKBYGT-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.04048 Da
Monoisotopic Mass: 1.9
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]+	187.04776	136.1
[M+Na]+	209.02970	146.4
[M+NH4]+	204.07430	142.2
[M+K]+	225.00364	142.7
[M-H]-	185.03320	132.4
[M+Na-2H]-	207.01515	141.0
[M]+	186.03993	136.3
[M]-	186.04103	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe