CID 10943639

336628-65-0

Structural Information

Molecular Formula

C₉H₉F₃O₂

SMILES

COCOC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C9H9F3O2/c1-13-6-14-8-5-3-2-4-7(8)9(10,11)12/h2-5H,6H2,1H3

InChIKey

KDGCARXCCUSENF-UHFFFAOYSA-N

Compound name

1-(methoxymethoxy)-2-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 206.05547 Da
Monoisotopic Mass: 2.8
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]+	207.06275	138.5
[M+Na]+	229.04469	147.4
[M-H]-	205.04819	138.5
[M+NH4]+	224.08929	157.7
[M+K]+	245.01863	145.7
[M+H-H2O]+	189.05273	130.5
[M+HCOO]-	251.05367	158.7
[M+CH3COO]-	265.06932	184.5
[M+Na-2H]-	227.03014	144.9
[M]+	206.05492	137.5
[M]-	206.05602	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe