CID 12179649

851341-36-1

Structural Information

Molecular Formula

C₉H₉F₃O₃

SMILES

COCOC1=CC=CC=C1OC(F)(F)F

InChI

InChI=1S/C9H9F3O3/c1-13-6-14-7-4-2-3-5-8(7)15-9(10,11)12/h2-5H,6H2,1H3

InChIKey

SUFHTGIPVZIIFB-UHFFFAOYSA-N

Compound name

1-(methoxymethoxy)-2-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 222.05038 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]+	223.05766	141.6
[M+Na]+	245.03960	150.4
[M-H]-	221.04310	141.6
[M+NH4]+	240.08420	160.1
[M+K]+	261.01354	149.2
[M+H-H2O]+	205.04764	133.3
[M+HCOO]-	267.04858	162.1
[M+CH3COO]-	281.06423	186.5
[M+Na-2H]-	243.02505	148.0
[M]+	222.04983	142.1
[M]-	222.05093	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe