CID 54686211

Nsc686582

Structural Information

Molecular Formula
C25H15FO8
SMILES
C1=CC=C(C(=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O)F
InChI
InChI=1S/C25H15FO8/c26-16-4-2-1-3-13(16)19(20-22(29)14-7-5-11(27)9-17(14)33-24(20)31)21-23(30)15-8-6-12(28)10-18(15)34-25(21)32/h1-10,19,27-30H
InChIKey
CPOUBPAXSCZNDP-UHFFFAOYSA-N
Compound name
3-[(4,7-dihydroxy-2-oxochromen-3-yl)-(2-fluorophenyl)methyl]-4,7-dihydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.0751 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.08238 208.3
[M+Na]+ 485.06432 219.5
[M-H]- 461.06782 217.0
[M+NH4]+ 480.10892 213.1
[M+K]+ 501.03826 217.2
[M+H-H2O]+ 445.07236 196.7
[M+HCOO]- 507.07330 221.6
[M+CH3COO]- 521.08895 217.2
[M+Na-2H]- 483.04977 211.1
[M]+ 462.07455 213.3
[M]- 462.07565 213.3
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.