CID 3697950

2648-11-5

Structural Information

Molecular Formula

C₁₅H₁₂F₃NO₂

SMILES

C1=CC=C(C=C1)C(C(F)(F)F)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C15H12F3NO2/c16-15(17,18)13(11-7-3-1-4-8-11)21-14(20)19-12-9-5-2-6-10-12/h1-10,13H,(H,19,20)

InChIKey

KXLYRPXGMALCIH-UHFFFAOYSA-N

Compound name

(2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.082 Da
Monoisotopic Mass: 4.1
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]+	296.089276	163.4
[M+Na]+	318.071218	169.1
[M-H]-	294.074724	165.8
[M+NH4]+	313.115823	177.7
[M+K]+	334.045158	165.5
[M+H-H2O]+	278.079260	153.0
[M+HCOO]-	340.080201	182.3
[M+CH3COO]-	354.095851	201.3
[M+Na-2H]-	316.056666	167.8
[M]+	295.08145142	158.9
[M]-	295.08254858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.