CID 979505

Propan-2-yl 6-bromo-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C20H18BrFO4
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OCC3=CC=CC=C3F)C(=O)OC(C)C
InChI
InChI=1S/C20H18BrFO4/c1-11(2)25-20(23)19-12(3)26-17-9-15(21)18(8-14(17)19)24-10-13-6-4-5-7-16(13)22/h4-9,11H,10H2,1-3H3
InChIKey
BFHSMDAWBAWEAU-UHFFFAOYSA-N
Compound name
propan-2-yl 6-bromo-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.03726 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.04454 191.8
[M+Na]+ 443.02648 196.0
[M+NH4]+ 438.07108 195.0
[M+K]+ 459.00042 196.7
[M-H]- 419.02998 193.5
[M+Na-2H]- 441.01193 193.2
[M]+ 420.03671 191.8
[M]- 420.03781 191.8
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.