CID 700580

Methyl 2-(4-bromophenoxy)acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

243.97351 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe