CID 13827038

111758-64-6

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC(=O)COC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H9BrO3/c1-12-9(11)6-13-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3
InChIKey
MYPHYUYCJZVEDV-UHFFFAOYSA-N
Compound name
methyl 2-(3-bromophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

243.97351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 142.2
[M+Na]+ 266.962728 153.5
[M-H]- 242.966234 148.7
[M+NH4]+ 262.007333 163.4
[M+K]+ 282.936668 144.0
[M+H-H2O]+ 226.970770 142.2
[M+HCOO]- 288.971711 164.1
[M+CH3COO]- 302.987361 188.0
[M+Na-2H]- 264.948176 149.5
[M]+ 243.97296142 163.8
[M]- 243.97405858 163.8
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