CID 15322722

2,2,2-trifluoroethyl n-cyclohexylcarbamate

Structural Information

Molecular Formula

C₉H₁₄F₃NO₂

SMILES

C1CCC(CC1)NC(=O)OCC(F)(F)F

InChI

InChI=1S/C9H14F3NO2/c10-9(11,12)6-15-8(14)13-7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14)

InChIKey

RBZWLYFELFNTOQ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl N-cyclohexylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 225.09766 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]+	226.10494	147.1
[M+Na]+	248.08688	151.2
[M-H]-	224.09038	145.6
[M+NH4]+	243.13148	164.5
[M+K]+	264.06082	149.9
[M+H-H2O]+	208.09492	138.6
[M+HCOO]-	270.09586	163.2
[M+CH3COO]-	284.11151	187.9
[M+Na-2H]-	246.07233	150.2
[M]+	225.09711	139.1
[M]-	225.09821	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe