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

47
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 143.7
[M+Na]+ 282.95762 155.9
[M-H]- 258.96112 149.3
[M+NH4]+ 278.00222 163.8
[M+K]+ 298.93156 146.0
[M+H-H2O]+ 242.96566 143.7
[M+HCOO]- 304.96660 164.1
[M+CH3COO]- 318.98225 190.4
[M+Na-2H]- 280.94307 149.2
[M]+ 259.96785 165.5
[M]- 259.96895 165.5
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