CID 53420453

1228880-06-5

Structural Information

Molecular Formula

C₁₀H₁₀F₃N

SMILES

C1CC1(C2=CC=C(C=C2)C(F)(F)F)N

InChI

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

InChIKey

RFWYCBTXBMMOBH-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 201.07654 Da
Monoisotopic Mass: 2.0
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	148.1
[M+Na]+	224.06576	157.5
[M+NH4]+	219.11036	156.1
[M+K]+	240.03970	152.2
[M-H]-	200.06926	153.4
[M+Na-2H]-	222.05121	156.7
[M]+	201.07599	151.8
[M]-	201.07709	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe