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

48
Patents

243.97351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 142.2
[M+Na]+ 266.96273 153.5
[M-H]- 242.96623 148.7
[M+NH4]+ 262.00733 163.4
[M+K]+ 282.93667 144.0
[M+H-H2O]+ 226.97077 142.2
[M+HCOO]- 288.97171 164.1
[M+CH3COO]- 302.98736 188.0
[M+Na-2H]- 264.94818 149.5
[M]+ 243.97296 163.8
[M]- 243.97406 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