CID 979409

Methyl 5-[(2-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C18H15BrO4
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3Br)C(=O)OC
InChI
InChI=1S/C18H15BrO4/c1-11-17(18(20)21-2)14-9-13(7-8-16(14)23-11)22-10-12-5-3-4-6-15(12)19/h3-9H,10H2,1-2H3
InChIKey
PGBWNVWYCUSRBB-UHFFFAOYSA-N
Compound name
methyl 5-[(2-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.01538 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02266 180.7
[M+Na]+ 397.00460 193.5
[M-H]- 373.00810 192.2
[M+NH4]+ 392.04920 198.5
[M+K]+ 412.97854 183.9
[M+H-H2O]+ 357.01264 179.9
[M+HCOO]- 419.01358 202.0
[M+CH3COO]- 433.02923 211.9
[M+Na-2H]- 394.99005 185.1
[M]+ 374.01483 206.5
[M]- 374.01593 206.5
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.