CID 105449672

2094162-94-2

Structural Information

Molecular Formula

C₁₀H₁₀F₂N₂

SMILES

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

InChI

InChI=1S/C10H10F2N2/c11-7-3-8(12)10-6(1-2-13)5-14-9(10)4-7/h3-5,14H,1-2,13H2

InChIKey

XGDPOURMTUKZDA-UHFFFAOYSA-N

Compound name

2-(4,6-difluoro-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 196.0812 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]+	197.08848	136.9
[M+Na]+	219.07042	148.1
[M-H]-	195.07392	136.8
[M+NH4]+	214.11502	157.5
[M+K]+	235.04436	142.6
[M+H-H2O]+	179.07846	129.3
[M+HCOO]-	241.07940	158.8
[M+CH3COO]-	255.09505	184.5
[M+Na-2H]-	217.05587	142.0
[M]+	196.08065	134.2
[M]-	196.08175	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe