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

928
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 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

literature stripe

Patent stripe

patents stripe