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 164.2
[M+Na]+ 353.00164 171.2
[M-H]- 329.00514 167.8
[M+NH4]+ 348.04624 176.3
[M+K]+ 368.97558 160.1
[M+H-H2O]+ 313.00968 166.1
[M+HCOO]- 375.01062 183.7
[M+CH3COO]- 389.02627 195.7
[M+Na-2H]- 350.98709 173.4
[M]+ 330.01187 162.3
[M]- 330.01297 162.3
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

patents stripe