CID 131035843

2-[1-(trifluoromethyl)cyclopropyl]aniline

Structural Information

Molecular Formula

C₁₀H₁₀F₃N

SMILES

C1CC1(C2=CC=CC=C2N)C(F)(F)F

InChI

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

InChIKey

SOMMUDVHTHGWPS-UHFFFAOYSA-N

Compound name

2-[1-(trifluoromethyl)cyclopropyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 201.07654 Da
Monoisotopic Mass: 2.9
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]+	202.08382	132.6
[M+Na]+	224.06576	142.8
[M-H]-	200.06926	136.5
[M+NH4]+	219.11036	148.5
[M+K]+	240.03970	139.5
[M+H-H2O]+	184.07380	124.9
[M+HCOO]-	246.07474	153.0
[M+CH3COO]-	260.09039	188.7
[M+Na-2H]-	222.05121	139.8
[M]+	201.07599	129.3
[M]-	201.07709	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe