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

46
Patents

259.9684 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.975676 143.7
[M+Na]+ 282.957618 155.9
[M-H]- 258.961124 149.3
[M+NH4]+ 278.002223 163.8
[M+K]+ 298.931558 146.0
[M+H-H2O]+ 242.965660 143.7
[M+HCOO]- 304.966601 164.1
[M+CH3COO]- 318.982251 190.4
[M+Na-2H]- 280.943066 149.2
[M]+ 259.96785142 165.5
[M]- 259.96894858 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