CID 154901

9,10-dinitroanthracene

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H8N2O4/c17-15(18)13-9-5-1-2-6-10(9)14(16(19)20)12-8-4-3-7-11(12)13/h1-8H
InChIKey
XYPMAZCBFKBIFK-UHFFFAOYSA-N
Compound name
9,10-dinitroanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2215
Patents

268.0484 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.055676 154.9
[M+Na]+ 291.037618 162.1
[M-H]- 267.041124 160.7
[M+NH4]+ 286.082223 170.8
[M+K]+ 307.011558 150.5
[M+H-H2O]+ 251.045660 156.2
[M+HCOO]- 313.046601 179.5
[M+CH3COO]- 327.062251 189.1
[M+Na-2H]- 289.023066 167.1
[M]+ 268.04785142 153.9
[M]- 268.04894858 153.9
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