CID 14528106

7-bromo-3-methoxy-2-naphthoic acid

Structural Information

Molecular Formula
C12H9BrO3
SMILES
COC1=C(C=C2C=C(C=CC2=C1)Br)C(=O)O
InChI
InChI=1S/C12H9BrO3/c1-16-11-6-7-2-3-9(13)4-8(7)5-10(11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKey
QUAVESQJWNBXDZ-UHFFFAOYSA-N
Compound name
7-bromo-3-methoxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 151.5
[M+Na]+ 302.962718 163.6
[M-H]- 278.966224 157.8
[M+NH4]+ 298.007323 171.7
[M+K]+ 318.936658 152.6
[M+H-H2O]+ 262.970760 151.6
[M+HCOO]- 324.971701 170.6
[M+CH3COO]- 338.987351 194.6
[M+Na-2H]- 300.948166 158.3
[M]+ 279.97295142 171.9
[M]- 279.97404858 171.9
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

patents stripe