CID 979550

308296-27-7

Structural Information

Molecular Formula
C19H17BrO4
SMILES
CC1=CC=C(C=C1)COC2=C(C=C3C(=C2)C(=C(O3)C)C(=O)OC)Br
InChI
InChI=1S/C19H17BrO4/c1-11-4-6-13(7-5-11)10-23-17-8-14-16(9-15(17)20)24-12(2)18(14)19(21)22-3/h4-9H,10H2,1-3H3
InChIKey
OSVVADZSHIKKAU-UHFFFAOYSA-N
Compound name
methyl 6-bromo-2-methyl-5-[(4-methylphenyl)methoxy]-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.031 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.03828 180.9
[M+Na]+ 411.02022 186.5
[M+NH4]+ 406.06482 185.1
[M+K]+ 426.99416 187.0
[M-H]- 387.02372 184.3
[M+Na-2H]- 409.00567 183.9
[M]+ 388.03045 181.7
[M]- 388.03155 181.7
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.