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]+ 280.98078 151.6
[M+Na]+ 302.96272 163.9
[M-H]- 278.96622 158.0
[M+NH4]+ 298.00732 172.0
[M+K]+ 318.93666 152.9
[M+H-H2O]+ 262.97076 151.8
[M+HCOO]- 324.97170 170.8
[M+CH3COO]- 338.98735 193.9
[M+Na-2H]- 300.94817 158.5
[M]+ 279.97295 172.0
[M]- 279.97405 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.