CID 979637

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

Structural Information

Molecular Formula
C18H14BrClO4
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OCC3=CC=CC=C3Cl)C(=O)OC
InChI
InChI=1S/C18H14BrClO4/c1-10-17(18(21)22-2)12-7-16(13(19)8-15(12)24-10)23-9-11-5-3-4-6-14(11)20/h3-8H,9H2,1-2H3
InChIKey
NOODNGMTXWKLIR-UHFFFAOYSA-N
Compound name
methyl 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

407.9764 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.98368 186.1
[M+Na]+ 430.96562 200.9
[M-H]- 406.96912 198.0
[M+NH4]+ 426.01022 203.9
[M+K]+ 446.93956 189.5
[M+H-H2O]+ 390.97366 186.1
[M+HCOO]- 452.97460 203.1
[M+CH3COO]- 466.99025 216.4
[M+Na-2H]- 428.95107 189.6
[M]+ 407.97585 214.5
[M]- 407.97695 214.5
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.