CID 88991983

1-(difluoromethyl)-1h-indol-5-amine

Structural Information

Molecular Formula

C₉H₈F₂N₂

SMILES

C1=CC2=C(C=CN2C(F)F)C=C1N

InChI

InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-5-7(12)1-2-8(6)13/h1-5,9H,12H2

InChIKey

MTRDMFDHRBOAGV-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)indol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 182.06555 Da
Monoisotopic Mass: 2.2
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]+	183.07283	132.5
[M+Na]+	205.05477	143.3
[M-H]-	181.05827	133.7
[M+NH4]+	200.09937	153.9
[M+K]+	221.02871	139.5
[M+H-H2O]+	165.06281	124.7
[M+HCOO]-	227.06375	155.3
[M+CH3COO]-	241.07940	183.8
[M+Na-2H]-	203.04022	138.0
[M]+	182.06500	130.2
[M]-	182.06610	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe