CID 135411065

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

Structural Information

Molecular Formula
C25H15ClO6
SMILES
CC1(C=CC2=C(O1)C=CC3=C2C(=O)C(=O)C(=C3O)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl)C
InChI
InChI=1S/C25H15ClO6/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
HCOGRKPNKCNOQT-UHFFFAOYSA-N
Compound name
8-(3-chloro-1,4-dioxonaphthalen-2-yl)-7-hydroxy-3,3-dimethylbenzo[f]chromene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.05573 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.06301 201.4
[M+Na]+ 469.04495 214.3
[M-H]- 445.04845 211.1
[M+NH4]+ 464.08955 214.8
[M+K]+ 485.01889 209.2
[M+H-H2O]+ 429.05299 192.4
[M+HCOO]- 491.05393 210.8
[M+CH3COO]- 505.06958 211.8
[M+Na-2H]- 467.03040 204.0
[M]+ 446.05518 207.4
[M]- 446.05628 207.4
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.