CID 11949557

Schembl12155349

Structural Information

Molecular Formula
C24H16F4O4
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC(=C(C=C3)F)F)OCC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C24H16F4O4/c1-30-15-4-5-16-22(11-15)32-24(29)17(8-13-2-6-18(25)20(27)9-13)23(16)31-12-14-3-7-19(26)21(28)10-14/h2-7,9-11H,8,12H2,1H3
InChIKey
WPMXULZCHJKGNJ-UHFFFAOYSA-N
Compound name
4-[(3,4-difluorophenyl)methoxy]-3-[(3,4-difluorophenyl)methyl]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

444.09848 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.10576 206.4
[M+Na]+ 467.08770 218.5
[M-H]- 443.09120 213.6
[M+NH4]+ 462.13230 215.4
[M+K]+ 483.06164 212.8
[M+H-H2O]+ 427.09574 191.8
[M+HCOO]- 489.09668 223.3
[M+CH3COO]- 503.11233 233.5
[M+Na-2H]- 465.07315 206.1
[M]+ 444.09793 209.1
[M]- 444.09903 209.1
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

patents stripe