CID 31413

128-67-6

Structural Information

Molecular Formula
C15H7NO6
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C15H7NO6/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22/h1-6H,(H,19,20)
InChIKey
PMOCDYOEOUEPAN-UHFFFAOYSA-N
Compound name
1-nitro-9,10-dioxoanthracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

58
Patents

297.02734 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.03462 157.9
[M+Na]+ 320.01656 166.2
[M-H]- 296.02006 162.6
[M+NH4]+ 315.06116 173.4
[M+K]+ 335.99050 158.8
[M+H-H2O]+ 280.02460 155.6
[M+HCOO]- 342.02554 178.0
[M+CH3COO]- 356.04119 196.4
[M+Na-2H]- 318.00201 165.2
[M]+ 297.02679 157.8
[M]- 297.02789 157.8
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

patents stripe