CID 83381748

2613385-53-6

Structural Information

Molecular Formula

C₉H₁₀F₃N

SMILES

CC(C1=CC(=CC=C1)N)C(F)(F)F

InChI

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

InChIKey

GELAXKCHNJCAAL-UHFFFAOYSA-N

Compound name

3-(1,1,1-trifluoropropan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.07654 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]+	190.08382	136.6
[M+Na]+	212.06576	144.6
[M-H]-	188.06926	136.2
[M+NH4]+	207.11036	155.9
[M+K]+	228.03970	141.8
[M+H-H2O]+	172.07380	128.7
[M+HCOO]-	234.07474	155.8
[M+CH3COO]-	248.09039	185.4
[M+Na-2H]-	210.05121	140.9
[M]+	189.07599	130.3
[M]-	189.07709	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe