CID 10922803

Methyl 2-bromo-3-methoxybenzoate

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC1=CC=CC(=C1Br)C(=O)OC
InChI
InChI=1S/C9H9BrO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3
InChIKey
JRMOOUWDJRMZGS-UHFFFAOYSA-N
Compound name
methyl 2-bromo-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

243.97351 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 141.2
[M+Na]+ 266.962728 153.4
[M-H]- 242.966234 148.0
[M+NH4]+ 262.007333 162.7
[M+K]+ 282.936668 143.9
[M+H-H2O]+ 226.970770 141.4
[M+HCOO]- 288.971711 163.1
[M+CH3COO]- 302.987361 189.1
[M+Na-2H]- 264.948176 147.9
[M]+ 243.97296142 163.1
[M]- 243.97405858 163.1
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