CID 979408

308296-09-5

Structural Information

Molecular Formula
C19H17BrO4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=CC=CC=C3Br)C
InChI
InChI=1S/C19H17BrO4/c1-3-22-19(21)18-12(2)24-17-9-8-14(10-15(17)18)23-11-13-6-4-5-7-16(13)20/h4-10H,3,11H2,1-2H3
InChIKey
QGKFUHNMKHJFHI-UHFFFAOYSA-N
Compound name
ethyl 5-[(2-bromophenyl)methoxy]-2-methyl-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 185.5
[M+Na]+ 411.02022 197.9
[M-H]- 387.02372 196.8
[M+NH4]+ 406.06482 202.7
[M+K]+ 426.99416 188.0
[M+H-H2O]+ 371.02826 184.4
[M+HCOO]- 433.02920 206.4
[M+CH3COO]- 447.04485 214.7
[M+Na-2H]- 409.00567 189.3
[M]+ 388.03045 211.6
[M]- 388.03155 211.6
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.