CID 272561

4-((4-nitrophenyl)amino)naphthalene-1,2-dione

Structural Information

Molecular Formula
C16H10N2O4
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H10N2O4/c19-15-9-14(12-3-1-2-4-13(12)16(15)20)17-10-5-7-11(8-6-10)18(21)22/h1-9,17H
InChIKey
WLVJOAGYONSXGC-UHFFFAOYSA-N
Compound name
4-(4-nitroanilino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.06406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07134 161.8
[M+Na]+ 317.05328 168.8
[M-H]- 293.05678 169.7
[M+NH4]+ 312.09788 176.5
[M+K]+ 333.02722 160.6
[M+H-H2O]+ 277.06132 157.9
[M+HCOO]- 339.06226 186.3
[M+CH3COO]- 353.07791 199.5
[M+Na-2H]- 315.03873 169.9
[M]+ 294.06351 159.9
[M]- 294.06461 159.9
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

No patent data available for this compound.