CID 979595

308297-42-9

Structural Information

Molecular Formula
C19H16BrFO4
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC(=CC=C3)F)Br)C
InChI
InChI=1S/C19H16BrFO4/c1-3-23-19(22)18-11(2)25-16-9-15(20)17(8-14(16)18)24-10-12-5-4-6-13(21)7-12/h4-9H,3,10H2,1-2H3
InChIKey
IVSPLSLJGFJLAM-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-[(3-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.0216 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.02888 189.5
[M+Na]+ 429.01082 202.7
[M-H]- 405.01432 199.9
[M+NH4]+ 424.05542 206.2
[M+K]+ 444.98476 192.4
[M+H-H2O]+ 389.01886 187.6
[M+HCOO]- 451.01980 209.4
[M+CH3COO]- 465.03545 218.3
[M+Na-2H]- 426.99627 192.0
[M]+ 406.02105 214.9
[M]- 406.02215 214.9
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.