CID 6004963

331460-00-5

Structural Information

Molecular Formula
C17H15BrO3
SMILES
COC1=C(C=C(C=C1)Br)COC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H15BrO3/c1-20-16-9-8-15(18)11-14(16)12-21-17(19)10-7-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b10-7+
InChIKey
SXWPEKVFIWPOKB-JXMROGBWSA-N
Compound name
(5-bromo-2-methoxyphenyl)methyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.02045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.02773 168.5
[M+Na]+ 369.00967 173.2
[M+NH4]+ 364.05427 172.6
[M+K]+ 384.98361 171.6
[M-H]- 345.01317 170.6
[M+Na-2H]- 366.99512 173.4
[M]+ 346.01990 168.6
[M]- 346.02100 168.6
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

No patent data available for this compound.