CID 89862343

1466429-18-4

Structural Information

Molecular Formula

C₁₀H₁₀F₃N

SMILES

C1CC2=C([C@@H]1N)C=CC=C2C(F)(F)F

InChI

InChI=1S/C10H10F3N/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3,9H,4-5,14H2/t9-/m1/s1

InChIKey

PRXYRXUXPMGIBU-SECBINFHSA-N

Compound name

(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 201.07654 Da
Monoisotopic Mass: 2.1
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]+	202.08382	138.8
[M+Na]+	224.06576	147.8
[M-H]-	200.06926	139.3
[M+NH4]+	219.11036	160.7
[M+K]+	240.03970	143.9
[M+H-H2O]+	184.07380	131.4
[M+HCOO]-	246.07474	157.9
[M+CH3COO]-	260.09039	186.4
[M+Na-2H]-	222.05121	143.1
[M]+	201.07599	132.2
[M]-	201.07709	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe