CID 1512511

127733-47-5

Structural Information

Molecular Formula

C₁₀H₉F₆N

SMILES

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

InChI

InChI=1S/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m1/s1

InChIKey

PFVWEAYXWZFSSK-RXMQYKEDSA-N

Compound name

(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 257.0639 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]+	258.07118	167.1
[M+Na]+	280.05312	171.5
[M+NH4]+	275.09772	169.3
[M+K]+	296.02706	167.8
[M-H]-	256.05662	160.9
[M+Na-2H]-	278.03857	167.4
[M]+	257.06335	165.6
[M]-	257.06445	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe