CID 130658301

2569698-42-4

Structural Information

Molecular Formula

C₉H₁₀F₃N

SMILES

C[C@H](C1=C(C(=CC=C1)C(F)F)F)N

InChI

InChI=1S/C9H10F3N/c1-5(13)6-3-2-4-7(8(6)10)9(11)12/h2-5,9H,13H2,1H3/t5-/m1/s1

InChIKey

QDCZKSVDMXYQHR-RXMQYKEDSA-N

Compound name

(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 189.07654 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]+	190.08382	141.8
[M+Na]+	212.06576	150.7
[M+NH4]+	207.11036	148.0
[M+K]+	228.03970	145.6
[M-H]-	188.06926	140.1
[M+Na-2H]-	210.05121	145.8
[M]+	189.07599	142.2
[M]-	189.07709	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe