CID 84686299

5-bromo-3-fluoro-2-methoxyphenol

Structural Information

Molecular Formula

C₇H₆BrFO₂

SMILES

COC1=C(C=C(C=C1F)Br)O

InChI

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

InChIKey

TWDRUJLSOCEDKQ-UHFFFAOYSA-N

Compound name

5-bromo-3-fluoro-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
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]+	220.96080	138.6
[M+Na]+	242.94274	142.1
[M+NH4]+	237.98734	143.0
[M+K]+	258.91668	142.2
[M-H]-	218.94624	137.7
[M+Na-2H]-	240.92819	141.4
[M]+	219.95297	137.6
[M]-	219.95407	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe