CID 44668405

Methyl 3-bromo-4,5-dimethoxybenzoate

Structural Information

Molecular Formula
C10H11BrO4
SMILES
COC1=C(C(=CC(=C1)C(=O)OC)Br)OC
InChI
InChI=1S/C10H11BrO4/c1-13-8-5-6(10(12)15-3)4-7(11)9(8)14-2/h4-5H,1-3H3
InChIKey
DADVORCKTZOFMJ-UHFFFAOYSA-N
Compound name
methyl 3-bromo-4,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.98407 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99135 147.4
[M+Na]+ 296.97329 159.8
[M-H]- 272.97679 154.3
[M+NH4]+ 292.01789 167.9
[M+K]+ 312.94723 150.6
[M+H-H2O]+ 256.98133 147.2
[M+HCOO]- 318.98227 169.1
[M+CH3COO]- 332.99792 195.0
[M+Na-2H]- 294.95874 153.0
[M]+ 273.98352 171.3
[M]- 273.98462 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

No literature data available for this compound.

Patent stripe

patents stripe