CID 241044

6296-63-5

Structural Information

Molecular Formula
C8H9BrO3
SMILES
C1=C(C=C(C(=C1CO)O)CO)Br
InChI
InChI=1S/C8H9BrO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,10-12H,3-4H2
InChIKey
YODIAPFXESLZGY-UHFFFAOYSA-N
Compound name
4-bromo-2,6-bis(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

73
Patents

231.97351 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.980786 140.2
[M+Na]+ 254.962728 152.0
[M-H]- 230.966234 143.2
[M+NH4]+ 250.007333 160.2
[M+K]+ 270.936668 140.1
[M+H-H2O]+ 214.970770 140.8
[M+HCOO]- 276.971711 158.6
[M+CH3COO]- 290.987361 180.9
[M+Na-2H]- 252.948176 146.1
[M]+ 231.97296142 158.0
[M]- 231.97405858 158.0
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