CID 2775102

146575-64-6

Structural Information

Molecular Formula

C₉H₇F₃O₃

SMILES

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

InChI

InChI=1S/C9H7F3O3/c1-5(13)7-4-6(2-3-8(7)14)15-9(10,11)12/h2-4,14H,1H3

InChIKey

FYWYHQOZXGAPSF-UHFFFAOYSA-N

Compound name

1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
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	149.0
[M+Na]+	243.02395	157.5
[M+NH4]+	238.06855	153.5
[M+K]+	258.99789	153.7
[M-H]-	219.02745	144.6
[M+Na-2H]-	241.00940	151.8
[M]+	220.03418	148.6
[M]-	220.03528	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe