CID 978396

3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methyl-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C23H17FO5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)C4=CC(=C(C=C4)OC)F
InChI
InChI=1S/C23H17FO5/c1-13-20(28-12-19(25)14-7-9-21(27-2)18(24)11-14)10-8-16-15-5-3-4-6-17(15)23(26)29-22(13)16/h3-11H,12H2,1-2H3
InChIKey
SHCDELSNECNYEH-UHFFFAOYSA-N
Compound name
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.106 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11328 191.5
[M+Na]+ 415.09522 202.7
[M-H]- 391.09872 200.5
[M+NH4]+ 410.13982 203.5
[M+K]+ 431.06916 199.2
[M+H-H2O]+ 375.10326 180.6
[M+HCOO]- 437.10420 211.3
[M+CH3COO]- 451.11985 224.2
[M+Na-2H]- 413.08067 196.1
[M]+ 392.10545 199.1
[M]- 392.10655 199.1
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.