CID 11031357

Phenyl 2,2,2-trifluoroethyl carbonate

Structural Information

Molecular Formula

C₉H₇F₃O₃

SMILES

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

InChI

InChI=1S/C9H7F3O3/c10-9(11,12)6-14-8(13)15-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

NGGUSKNBBASYGO-UHFFFAOYSA-N

Compound name

phenyl 2,2,2-trifluoroethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 220.03473 Da
Monoisotopic Mass: 3.2
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]+	221.04201	148.5
[M+Na]+	243.02395	156.9
[M+NH4]+	238.06855	153.4
[M+K]+	258.99789	152.5
[M-H]-	219.02745	144.6
[M+Na-2H]-	241.00940	152.3
[M]+	220.03418	148.2
[M]-	220.03528	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe