CID 2759828

Methyl 4-(bromomethyl)-3-methoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

907
Patents

257.98917 Da
Monoisotopic Mass

2.3
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.

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Patent stripe

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