CID 5490206

2,5-dinitrochrysazin

Structural Information

Molecular Formula
C14H6N2O8
SMILES
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O)[N+](=O)[O-]
InChI
InChI=1S/C14H6N2O8/c17-8-4-3-6(15(21)22)10-11(8)14(20)9-5(12(10)18)1-2-7(13(9)19)16(23)24/h1-4,17,19H
InChIKey
WZFXDVLVEULHSB-UHFFFAOYSA-N
Compound name
1,8-dihydroxy-2,5-dinitroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.01242 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.01970 168.9
[M+Na]+ 353.00164 182.8
[M+NH4]+ 348.04624 174.5
[M+K]+ 368.97558 183.4
[M-H]- 329.00514 172.0
[M+Na-2H]- 350.98709 171.0
[M]+ 330.01187 171.3
[M]- 330.01297 171.3
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.