CID 42607786

Derriobtusone a

Structural Information

Molecular Formula
C18H12O4
SMILES
COC1=C(OC2=C1C=CC3=C2C=CO3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H12O4/c1-20-17-13-7-8-14-12(9-10-21-14)16(13)22-18(17)15(19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
IOMYTSYGOQQBAH-UHFFFAOYSA-N
Compound name
(3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.07355 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08083 163.1
[M+Na]+ 315.06277 175.3
[M-H]- 291.06627 175.0
[M+NH4]+ 310.10737 181.8
[M+K]+ 331.03671 173.6
[M+H-H2O]+ 275.07081 157.9
[M+HCOO]- 337.07175 188.2
[M+CH3COO]- 351.08740 178.1
[M+Na-2H]- 313.04822 169.2
[M]+ 292.07300 172.4
[M]- 292.07410 172.4
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.