CID 979599

Methyl 6-bromo-5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C18H14BrFO4
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OCC3=CC=C(C=C3)F)C(=O)OC
InChI
InChI=1S/C18H14BrFO4/c1-10-17(18(21)22-2)13-7-16(14(19)8-15(13)24-10)23-9-11-3-5-12(20)6-4-11/h3-8H,9H2,1-2H3
InChIKey
XGRJDSYZWLIPHB-UHFFFAOYSA-N
Compound name
methyl 6-bromo-5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.00595 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.01323 184.7
[M+Na]+ 414.99517 198.3
[M-H]- 390.99867 195.2
[M+NH4]+ 410.03977 201.9
[M+K]+ 430.96911 188.3
[M+H-H2O]+ 375.00321 183.0
[M+HCOO]- 437.00415 204.9
[M+CH3COO]- 451.01980 215.6
[M+Na-2H]- 412.98062 187.7
[M]+ 392.00540 209.8
[M]- 392.00650 209.8
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.