CID 9722

2,2,2-trifluoroethyl n-phenylcarbamate

Structural Information

Molecular Formula

C₉H₈F₃NO₂

SMILES

C1=CC=C(C=C1)NC(=O)OCC(F)(F)F

InChI

InChI=1S/C9H8F3NO2/c10-9(11,12)6-15-8(14)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)

InChIKey

DWYDJEHECXADHP-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 219.05072 Da
Monoisotopic Mass: 3.0
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]+	220.05800	147.1
[M+Na]+	242.03994	154.7
[M+NH4]+	237.08454	152.0
[M+K]+	258.01388	150.3
[M-H]-	218.04344	143.8
[M+Na-2H]-	240.02539	151.1
[M]+	219.05017	146.8
[M]-	219.05127	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe