CID 12346102

Ethyl 2-(4-bromophenoxy)-2-methylpropanoate

Structural Information

Molecular Formula
C12H15BrO3
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Br
InChI
InChI=1S/C12H15BrO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
InChIKey
IOVDAUBZQSIHIQ-UHFFFAOYSA-N
Compound name
ethyl 2-(4-bromophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

286.02045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.02773 156.8
[M+Na]+ 309.00967 167.3
[M-H]- 285.01317 163.0
[M+NH4]+ 304.05427 176.4
[M+K]+ 324.98361 157.4
[M+H-H2O]+ 269.01771 156.8
[M+HCOO]- 331.01865 176.2
[M+CH3COO]- 345.03430 196.7
[M+Na-2H]- 306.99512 163.1
[M]+ 286.01990 178.9
[M]- 286.02100 178.9
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