CID 84082969

1782209-06-6

Structural Information

Molecular Formula
C12H9BrO3
SMILES
COC(=O)C1=CC=CC2=CC(=CC(=C21)Br)O
InChI
InChI=1S/C12H9BrO3/c1-16-12(15)9-4-2-3-7-5-8(14)6-10(13)11(7)9/h2-6,14H,1H3
InChIKey
AJMONFOJLWJIMC-UHFFFAOYSA-N
Compound name
methyl 8-bromo-6-hydroxynaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9735 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.980776 151.6
[M+Na]+ 302.962718 163.9
[M-H]- 278.966224 158.0
[M+NH4]+ 298.007323 172.0
[M+K]+ 318.936658 152.9
[M+H-H2O]+ 262.970760 151.8
[M+HCOO]- 324.971701 170.8
[M+CH3COO]- 338.987351 193.9
[M+Na-2H]- 300.948166 158.5
[M]+ 279.97295142 172.0
[M]- 279.97404858 172.0
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.