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 171.7
[M+Na]+ 369.00967 181.7
[M-H]- 345.01317 180.5
[M+NH4]+ 364.05427 188.6
[M+K]+ 384.98361 170.0
[M+H-H2O]+ 329.01771 170.1
[M+HCOO]- 391.01865 192.4
[M+CH3COO]- 405.03430 206.1
[M+Na-2H]- 366.99512 176.2
[M]+ 346.01990 193.0
[M]- 346.02100 193.0
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.