CID 21584090

2-bromo-4-(trifluoromethoxy)phenol

Structural Information

Molecular Formula

C₇H₄BrF₃O₂

SMILES

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

InChI

InChI=1S/C7H4BrF3O2/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3,12H

InChIKey

YHSCBQZMCFSTGL-UHFFFAOYSA-N

Compound name

2-bromo-4-(trifluoromethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 255.93468 Da
Monoisotopic Mass: 3.7
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]+	256.94196	154.0
[M+Na]+	278.92390	155.2
[M+NH4]+	273.96850	156.4
[M+K]+	294.89784	155.5
[M-H]-	254.92740	149.8
[M+Na-2H]-	276.90935	154.8
[M]+	255.93413	151.7
[M]-	255.93523	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe