CID 15110997

Methyl 2-bromo-4-methoxybenzoate

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC1=CC(=C(C=C1)C(=O)OC)Br
InChI
InChI=1S/C9H9BrO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3
InChIKey
MGIYCRUAYQQSNL-UHFFFAOYSA-N
Compound name
methyl 2-bromo-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

715
Patents

243.97351 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 141.2
[M+Na]+ 266.96273 153.4
[M-H]- 242.96623 148.0
[M+NH4]+ 262.00733 162.7
[M+K]+ 282.93667 143.9
[M+H-H2O]+ 226.97077 141.4
[M+HCOO]- 288.97171 163.1
[M+CH3COO]- 302.98736 189.1
[M+Na-2H]- 264.94818 147.9
[M]+ 243.97296 163.1
[M]- 243.97406 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

literature stripe

Patent stripe

patents stripe