CID 28937892

944348-12-3

Structural Information

Molecular Formula

C₁₄H₁₈F₃N

SMILES

C1CCC(CC1)(CN)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H18F3N/c15-14(16,17)12-6-4-5-11(9-12)13(10-18)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,18H2

InChIKey

AUSNQSGELDROQW-UHFFFAOYSA-N

Compound name

[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 257.13913 Da
Monoisotopic Mass: 4.0
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]+	258.14641	158.0
[M+Na]+	280.12835	163.4
[M-H]-	256.13185	159.4
[M+NH4]+	275.17295	176.0
[M+K]+	296.10229	159.0
[M+H-H2O]+	240.13639	148.9
[M+HCOO]-	302.13733	173.7
[M+CH3COO]-	316.15298	195.8
[M+Na-2H]-	278.11380	161.4
[M]+	257.13858	147.7
[M]-	257.13968	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe