CID 10491483

Methyl 3-(2-bromoethoxy)benzoate

Structural Information

Molecular Formula
C10H11BrO3
SMILES
COC(=O)C1=CC(=CC=C1)OCCBr
InChI
InChI=1S/C10H11BrO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3
InChIKey
CGGLKWTURIUCMN-UHFFFAOYSA-N
Compound name
methyl 3-(2-bromoethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

257.98917 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 146.9
[M+Na]+ 280.97839 157.8
[M-H]- 256.98189 153.2
[M+NH4]+ 276.02299 167.5
[M+K]+ 296.95233 148.0
[M+H-H2O]+ 240.98643 146.7
[M+HCOO]- 302.98737 168.5
[M+CH3COO]- 317.00302 190.8
[M+Na-2H]- 278.96384 153.6
[M]+ 257.98862 168.8
[M]- 257.98972 168.8
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

patents stripe