CID 689064

99246-63-6

Structural Information

Molecular Formula
C18H16O4
SMILES
CC1=C(OC2=C1C(=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16O4/c1-11-16-14(21-3)9-13(20-2)10-15(16)22-18(11)17(19)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey
QLDFAKUGHBXLGN-UHFFFAOYSA-N
Compound name
(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.2
[M+Na]+ 319.09408 176.9
[M-H]- 295.09758 175.9
[M+NH4]+ 314.13868 183.5
[M+K]+ 335.06802 174.8
[M+H-H2O]+ 279.10212 159.3
[M+HCOO]- 341.10306 190.3
[M+CH3COO]- 355.11871 204.3
[M+Na-2H]- 317.07953 170.3
[M]+ 296.10431 174.3
[M]- 296.10541 174.3
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.