CID 24766018

819046-96-3

Structural Information

Molecular Formula

C₁₀H₁₀F₃N

SMILES

C1[C@H]([C@@H]1N)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C10H10F3N/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(8)14/h1-4,8-9H,5,14H2/t8-,9+/m0/s1

InChIKey

WDWZYVCJRRSQDE-DTWKUNHWSA-N

Compound name

(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 201.07654 Da
Monoisotopic Mass: 2.4
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	147.6
[M+Na]+	224.06576	157.0
[M+NH4]+	219.11036	154.3
[M+K]+	240.03970	153.4
[M-H]-	200.06926	152.8
[M+Na-2H]-	222.05121	154.6
[M]+	201.07599	151.1
[M]-	201.07709	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe