CID 129960788

1261587-42-1

Structural Information

Molecular Formula

C₈H₇F₃O₃

SMILES

COC1=CC(=C(C=C1)OC(F)(F)F)O

InChI

InChI=1S/C8H7F3O3/c1-13-5-2-3-7(6(12)4-5)14-8(9,10)11/h2-4,12H,1H3

InChIKey

ACGIDXLXTLCHCG-UHFFFAOYSA-N

Compound name

5-methoxy-2-(trifluoromethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.03473 Da
Monoisotopic Mass: 2.0
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]+	209.04201	136.7
[M+Na]+	231.02395	146.5
[M-H]-	207.02745	135.9
[M+NH4]+	226.06855	155.4
[M+K]+	246.99789	144.7
[M+H-H2O]+	191.03199	129.2
[M+HCOO]-	253.03293	156.0
[M+CH3COO]-	267.04858	182.0
[M+Na-2H]-	229.00940	142.6
[M]+	208.03418	135.3
[M]-	208.03528	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe