CID 84686309

1784923-61-0

Structural Information

Molecular Formula

C₇H₆BrFO₂

SMILES

COC1=C(C(=C(C=C1)Br)O)F

InChI

InChI=1S/C7H6BrFO2/c1-11-5-3-2-4(8)7(10)6(5)9/h2-3,10H,1H3

InChIKey

JOYVCFSGWIFGOC-UHFFFAOYSA-N

Compound name

6-bromo-2-fluoro-3-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.95352 Da
Monoisotopic Mass: 2.3
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]+	220.960796	134.5
[M+Na]+	242.942738	148.0
[M-H]-	218.946244	139.2
[M+NH4]+	237.987343	156.5
[M+K]+	258.916678	137.2
[M+H-H2O]+	202.950780	134.5
[M+HCOO]-	264.951721	155.1
[M+CH3COO]-	278.967371	183.3
[M+Na-2H]-	240.928186	141.5
[M]+	219.95297142	153.2
[M]-	219.95406858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe