CID 853047

Ethyl 4-[(4-bromophenoxy)methyl]benzoate

Structural Information

Molecular Formula
C16H15BrO3
SMILES
CCOC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H15BrO3/c1-2-19-16(18)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3
InChIKey
SQKAMYGIWSHLFC-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-bromophenoxy)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.02045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02773 165.3
[M+Na]+ 357.00967 170.0
[M+NH4]+ 352.05427 169.7
[M+K]+ 372.98361 168.7
[M-H]- 333.01317 167.6
[M+Na-2H]- 354.99512 170.5
[M]+ 334.01990 165.5
[M]- 334.02100 165.5
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

No patent data available for this compound.