CID 11043997

Methyl 3-bromo-2,5-dimethoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

No literature data available for this compound.

Patent stripe

patents stripe