CID 14339095

Ns00133647

Structural Information

Molecular Formula
C7H7BrO3
SMILES
COC1=CC(=CC(=C1Br)O)O
InChI
InChI=1S/C7H7BrO3/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3,9-10H,1H3
InChIKey
JMYXENKYYRGKRO-UHFFFAOYSA-N
Compound name
4-bromo-5-methoxybenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.