CID 71398293

4-bromo-2,6-dimethoxybenzoic acid

Structural Information

Molecular Formula
C9H9BrO4
SMILES
COC1=CC(=CC(=C1C(=O)O)OC)Br
InChI
InChI=1S/C9H9BrO4/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4H,1-2H3,(H,11,12)
InChIKey
SGXLLIOGWIOYDZ-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

259.9684 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97568 144.9
[M+Na]+ 282.95762 147.8
[M+NH4]+ 278.00222 148.5
[M+K]+ 298.93156 149.3
[M-H]- 258.96112 144.1
[M+Na-2H]- 280.94307 147.0
[M]+ 259.96785 143.8
[M]- 259.96895 143.8
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