CID 2794947

2316-61-2

Structural Information

Molecular Formula
C8H9BrO3
SMILES
COC1=C(C(=CC(=C1)CO)Br)O
InChI
InChI=1S/C8H9BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,10-11H,4H2,1H3
InChIKey
WDVJCYJWJHPFIB-UHFFFAOYSA-N
Compound name
2-bromo-4-(hydroxymethyl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

231.97351 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98079 139.1
[M+Na]+ 254.96273 151.4
[M-H]- 230.96623 143.5
[M+NH4]+ 250.00733 159.9
[M+K]+ 270.93667 140.4
[M+H-H2O]+ 214.97077 139.6
[M+HCOO]- 276.97171 159.0
[M+CH3COO]- 290.98736 183.2
[M+Na-2H]- 252.94818 145.6
[M]+ 231.97296 158.7
[M]- 231.97406 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