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

28
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 151.5
[M+Na]+ 302.96272 163.6
[M-H]- 278.96622 157.8
[M+NH4]+ 298.00732 171.7
[M+K]+ 318.93666 152.6
[M+H-H2O]+ 262.97076 151.6
[M+HCOO]- 324.97170 170.6
[M+CH3COO]- 338.98735 194.6
[M+Na-2H]- 300.94817 158.3
[M]+ 279.97295 171.9
[M]- 279.97405 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