CID 3790875

2-fluoro-5-(trifluoromethoxy)phenol

Structural Information

Molecular Formula

C₇H₄F₄O₂

SMILES

C1=CC(=C(C=C1OC(F)(F)F)O)F

InChI

InChI=1S/C7H4F4O2/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3,12H

InChIKey

MKRRYWGEQVWJCA-UHFFFAOYSA-N

Compound name

2-fluoro-5-(trifluoromethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 196.01474 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]+	197.02202	145.3
[M+Na]+	219.00396	153.4
[M+NH4]+	214.04856	149.8
[M+K]+	234.97790	149.0
[M-H]-	195.00746	140.5
[M+Na-2H]-	216.98941	148.2
[M]+	196.01419	144.7
[M]-	196.01529	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe