CID 19744340

Methyl 5-(bromomethyl)-2-methoxybenzoate

Structural Information

Molecular Formula
C10H11BrO3
SMILES
COC1=C(C=C(C=C1)CBr)C(=O)OC
InChI
InChI=1S/C10H11BrO3/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-5H,6H2,1-2H3
InChIKey
ZNQXAVJDXSCHGF-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

257.98917 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 146.0
[M+Na]+ 280.97839 157.7
[M-H]- 256.98189 152.6
[M+NH4]+ 276.02299 166.9
[M+K]+ 296.95233 147.9
[M+H-H2O]+ 240.98643 145.9
[M+HCOO]- 302.98737 167.5
[M+CH3COO]- 317.00302 191.9
[M+Na-2H]- 278.96384 152.1
[M]+ 257.98862 168.2
[M]- 257.98972 168.2
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