CID 3705874

3-bromo-6-methoxybenzene-1,2-diol

Structural Information

Molecular Formula
C7H7BrO3
SMILES
COC1=C(C(=C(C=C1)Br)O)O
InChI
InChI=1S/C7H7BrO3/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,9-10H,1H3
InChIKey
FRPLUCSOQCYPPX-UHFFFAOYSA-N
Compound name
3-bromo-6-methoxybenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

217.95786 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.965136 134.4
[M+Na]+ 240.947078 147.2
[M-H]- 216.950584 139.0
[M+NH4]+ 235.991683 155.7
[M+K]+ 256.921018 136.4
[M+H-H2O]+ 200.955120 135.2
[M+HCOO]- 262.956061 154.7
[M+CH3COO]- 276.971711 180.4
[M+Na-2H]- 238.932526 141.5
[M]+ 217.95731142 153.7
[M]- 217.95840858 153.7
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