CID 2748092

Methyl 4-(bromomethyl)-3,5-dimethoxybenzoate

Structural Information

Molecular Formula
C11H13BrO4
SMILES
COC1=CC(=CC(=C1CBr)OC)C(=O)OC
InChI
InChI=1S/C11H13BrO4/c1-14-9-4-7(11(13)16-3)5-10(15-2)8(9)6-12/h4-5H,6H2,1-3H3
InChIKey
CKOPIHBZTQSVJU-UHFFFAOYSA-N
Compound name
methyl 4-(bromomethyl)-3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

287.99973 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.00701 152.2
[M+Na]+ 310.98895 164.1
[M-H]- 286.99245 158.9
[M+NH4]+ 306.03355 172.0
[M+K]+ 326.96289 154.7
[M+H-H2O]+ 270.99699 151.7
[M+HCOO]- 332.99793 173.5
[M+CH3COO]- 347.01358 197.8
[M+Na-2H]- 308.97440 157.1
[M]+ 287.99918 176.4
[M]- 288.00028 176.4
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