CID 81429572

Methyl 3-bromo-4-(methoxymethyl)benzoate

Structural Information

Molecular Formula
C10H11BrO3
SMILES
COCC1=C(C=C(C=C1)C(=O)OC)Br
InChI
InChI=1S/C10H11BrO3/c1-13-6-8-4-3-7(5-9(8)11)10(12)14-2/h3-5H,6H2,1-2H3
InChIKey
CVTZJCBHKYLSFW-UHFFFAOYSA-N
Compound name
methyl 3-bromo-4-(methoxymethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.98917 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 145.6
[M+Na]+ 280.97839 148.9
[M+NH4]+ 276.02299 149.8
[M+K]+ 296.95233 149.3
[M-H]- 256.98189 145.6
[M+Na-2H]- 278.96384 148.6
[M]+ 257.98862 144.8
[M]- 257.98972 144.8
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

No patent data available for this compound.