CID 894092

4-bromo-2-(hydroxymethyl)-6-methoxyphenol

Structural Information

Molecular Formula
C8H9BrO3
SMILES
COC1=CC(=CC(=C1O)CO)Br
InChI
InChI=1S/C8H9BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-3,10-11H,4H2,1H3
InChIKey
UBLQIISPEAEAIX-UHFFFAOYSA-N
Compound name
4-bromo-2-(hydroxymethyl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

231.97351 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.980786 139.1
[M+Na]+ 254.962728 151.4
[M-H]- 230.966234 143.5
[M+NH4]+ 250.007333 159.9
[M+K]+ 270.936668 140.4
[M+H-H2O]+ 214.970770 139.6
[M+HCOO]- 276.971711 159.0
[M+CH3COO]- 290.987361 183.2
[M+Na-2H]- 252.948176 145.6
[M]+ 231.97296142 158.7
[M]- 231.97405858 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe