CID 1584692

308296-12-0

Structural Information

Molecular Formula
C20H19BrO5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3Br)C(=O)OCCOC
InChI
InChI=1S/C20H19BrO5/c1-13-19(20(22)24-10-9-23-2)16-11-15(7-8-18(16)26-13)25-12-14-5-3-4-6-17(14)21/h3-8,11H,9-10,12H2,1-2H3
InChIKey
WLMBNFJARNGQPH-UHFFFAOYSA-N
Compound name
2-methoxyethyl 5-[(2-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.0416 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.04888 192.6
[M+Na]+ 441.03082 204.2
[M-H]- 417.03432 203.7
[M+NH4]+ 436.07542 208.4
[M+K]+ 457.00476 194.8
[M+H-H2O]+ 401.03886 191.0
[M+HCOO]- 463.03980 213.2
[M+CH3COO]- 477.05545 219.4
[M+Na-2H]- 439.01627 196.0
[M]+ 418.04105 220.2
[M]- 418.04215 220.2
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.