CID 28940065

Methyl 3-(4-bromophenoxy)propanoate

Structural Information

Molecular Formula
C10H11BrO3
SMILES
COC(=O)CCOC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H11BrO3/c1-13-10(12)6-7-14-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKey
VHLORERZRULFJB-UHFFFAOYSA-N
Compound name
methyl 3-(4-bromophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

257.98917 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 146.3
[M+Na]+ 280.97839 149.2
[M+NH4]+ 276.02299 150.5
[M+K]+ 296.95233 149.4
[M-H]- 256.98189 146.2
[M+Na-2H]- 278.96384 149.4
[M]+ 257.98862 145.4
[M]- 257.98972 145.4
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

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