CID 117713

Methyl 4-bromo-3,5-dimethoxybenzoate

Structural Information

Molecular Formula
C10H11BrO4
SMILES
COC1=CC(=CC(=C1Br)OC)C(=O)OC
InChI
InChI=1S/C10H11BrO4/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5H,1-3H3
InChIKey
DBPNSECLVZPWET-UHFFFAOYSA-N
Compound name
methyl 4-bromo-3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

134
Patents

273.98407 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.991346 147.4
[M+Na]+ 296.973288 159.8
[M-H]- 272.976794 154.3
[M+NH4]+ 292.017893 167.9
[M+K]+ 312.947228 150.6
[M+H-H2O]+ 256.981330 147.2
[M+HCOO]- 318.982271 169.1
[M+CH3COO]- 332.997921 195.0
[M+Na-2H]- 294.958736 153.0
[M]+ 273.98352142 171.3
[M]- 273.98461858 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe