CID 135411064

9-hydroxy-8-(3-iodo-1,4-dioxo-2-naphthyl)-3,3-dimethyl-benzo[f]chromene-7,10-dione

Structural Information

Molecular Formula
C25H15IO6
SMILES
CC1(C=CC2=C(O1)C=CC3=C2C(=O)C(=O)C(=C3O)C4=C(C(=O)C5=CC=CC=C5C4=O)I)C
InChI
InChI=1S/C25H15IO6/c1-25(2)10-9-13-15(32-25)8-7-14-16(13)23(30)24(31)18(21(14)28)17-19(26)22(29)12-6-4-3-5-11(12)20(17)27/h3-10,28H,1-2H3
InChIKey
SRQZQEJTXZEUOZ-UHFFFAOYSA-N
Compound name
7-hydroxy-8-(3-iodo-1,4-dioxonaphthalen-2-yl)-3,3-dimethylbenzo[f]chromene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

537.99133 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.99861 199.7
[M+Na]+ 560.98055 204.0
[M-H]- 536.98405 201.5
[M+NH4]+ 556.02515 207.8
[M+K]+ 576.95449 205.8
[M+H-H2O]+ 520.98859 186.2
[M+HCOO]- 582.98953 208.4
[M+CH3COO]- 597.00518 205.6
[M+Na-2H]- 558.96600 191.9
[M]+ 537.99078 199.9
[M]- 537.99188 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.