CID 66887268

Methyl 4-bromo-5-fluoro-2-hydroxybenzoate

Structural Information

Molecular Formula

C₈H₆BrFO₃

SMILES

COC(=O)C1=CC(=C(C=C1O)Br)F

InChI

InChI=1S/C8H6BrFO3/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3,11H,1H3

InChIKey

WCXWROSPLXHQFI-UHFFFAOYSA-N

Compound name

methyl 4-bromo-5-fluoro-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 247.94843 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]+	248.95571	144.2
[M+Na]+	270.93765	146.8
[M+NH4]+	265.98225	147.6
[M+K]+	286.91159	147.8
[M-H]-	246.94115	142.4
[M+Na-2H]-	268.92310	145.9
[M]+	247.94788	142.7
[M]-	247.94898	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe