CID 11818

1,3-dinitronaphthalene

Structural Information

Molecular Formula
C10H6N2O4
SMILES
C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H
InChIKey
ULALSFRIGPMWRS-UHFFFAOYSA-N
Compound name
1,3-dinitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

585
Patents

218.03276 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04004 143.0
[M+Na]+ 241.02198 149.7
[M-H]- 217.02548 147.8
[M+NH4]+ 236.06658 160.1
[M+K]+ 256.99592 139.5
[M+H-H2O]+ 201.03002 145.5
[M+HCOO]- 263.03096 168.2
[M+CH3COO]- 277.04661 178.3
[M+Na-2H]- 239.00743 153.9
[M]+ 218.03221 140.3
[M]- 218.03331 140.3
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

No patent data available for this compound.