CID 4532120

2-amino-1-nitroanthracene-9,10-dione

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)N)[N+](=O)[O-]
InChI
InChI=1S/C14H8N2O4/c15-10-6-5-9-11(12(10)16(19)20)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15H2
InChIKey
MTXKQBHZBNCFSC-UHFFFAOYSA-N
Compound name
2-amino-1-nitroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

268.0484 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.055676 152.8
[M+Na]+ 291.037618 161.7
[M-H]- 267.041124 158.4
[M+NH4]+ 286.082223 170.0
[M+K]+ 307.011558 153.6
[M+H-H2O]+ 251.045660 150.4
[M+HCOO]- 313.046601 175.7
[M+CH3COO]- 327.062251 195.8
[M+Na-2H]- 289.023066 161.2
[M]+ 268.04785142 151.1
[M]- 268.04894858 151.1
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