CID 18542515

468074-91-1

Structural Information

Molecular Formula

C₁₀H₁₁F₃O₃

SMILES

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

InChI

InChI=1S/C10H11F3O3/c1-6(14)8-5-7(16-10(11,12)13)3-4-9(8)15-2/h3-6,14H,1-2H3

InChIKey

DKUPMKWSJITPFC-UHFFFAOYSA-N

Compound name

1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 236.06602 Da
Monoisotopic Mass: 2.6
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]+	237.07330	146.0
[M+Na]+	259.05524	154.7
[M-H]-	235.05874	144.9
[M+NH4]+	254.09984	163.5
[M+K]+	275.02918	152.9
[M+H-H2O]+	219.06328	138.2
[M+HCOO]-	281.06422	163.6
[M+CH3COO]-	295.07987	188.9
[M+Na-2H]-	257.04069	149.6
[M]+	236.06547	144.7
[M]-	236.06657	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe