CID 979497

Ethyl 6-bromo-5-[(2-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C19H16BrClO4
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3Cl)Br)C
InChI
InChI=1S/C19H16BrClO4/c1-3-23-19(22)18-11(2)25-16-9-14(20)17(8-13(16)18)24-10-12-6-4-5-7-15(12)21/h4-9H,3,10H2,1-2H3
InChIKey
VCWIHTZTLMCQDE-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-[(2-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.99203 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.99931 191.0
[M+Na]+ 444.98125 205.2
[M-H]- 420.98475 202.6
[M+NH4]+ 440.02585 208.1
[M+K]+ 460.95519 193.7
[M+H-H2O]+ 404.98929 190.7
[M+HCOO]- 466.99023 207.5
[M+CH3COO]- 481.00588 219.1
[M+Na-2H]- 442.96670 193.9
[M]+ 421.99148 219.6
[M]- 421.99258 219.6
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.