CID 11948100

Schembl12155385

Structural Information

Molecular Formula
C25H18F4O3
SMILES
CC1=CC2=C(C=C1C)OC(=O)C(=C2OCC3=C(C=C(C=C3)F)F)CC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C25H18F4O3/c1-13-7-19-23(8-14(13)2)32-25(30)20(9-15-3-5-17(26)10-21(15)28)24(19)31-12-16-4-6-18(27)11-22(16)29/h3-8,10-11H,9,12H2,1-2H3
InChIKey
LEWGXTLMKDJYLQ-UHFFFAOYSA-N
Compound name
4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6,7-dimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

442.1192 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12648 208.1
[M+Na]+ 465.10842 221.0
[M-H]- 441.11192 215.6
[M+NH4]+ 460.15302 217.7
[M+K]+ 481.08236 214.4
[M+H-H2O]+ 425.11646 193.8
[M+HCOO]- 487.11740 224.5
[M+CH3COO]- 501.13305 235.5
[M+Na-2H]- 463.09387 206.5
[M]+ 442.11865 210.2
[M]- 442.11975 210.2
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

patents stripe