CID 467495

6,8-dinitro-chrysin

Structural Information

Molecular Formula
C15H8N2O8
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)[N+](=O)[O-])O)[N+](=O)[O-])O
InChI
InChI=1S/C15H8N2O8/c18-8-6-9(7-4-2-1-3-5-7)25-15-10(8)13(19)11(16(21)22)14(20)12(15)17(23)24/h1-6,19-20H
InChIKey
XIKHZTGDTFLXMY-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6,8-dinitro-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.02808 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.03536 171.7
[M+Na]+ 367.01730 178.2
[M-H]- 343.02080 178.2
[M+NH4]+ 362.06190 180.7
[M+K]+ 382.99124 167.8
[M+H-H2O]+ 327.02534 171.8
[M+HCOO]- 389.02628 192.8
[M+CH3COO]- 403.04193 196.8
[M+Na-2H]- 365.00275 181.4
[M]+ 344.02753 171.0
[M]- 344.02863 171.0
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.