CID 243494

4,5-dinitroso-3,6-diphenylpyridazine

Structural Information

Molecular Formula
C16H10N4O2
SMILES
C1=CC=C(C=C1)C2=NN=C(C(=C2N=O)N=O)C3=CC=CC=C3
InChI
InChI=1S/C16H10N4O2/c21-19-15-13(11-7-3-1-4-8-11)17-18-14(16(15)20-22)12-9-5-2-6-10-12/h1-10H
InChIKey
ITOFUZXGSRJQHR-UHFFFAOYSA-N
Compound name
4,5-dinitroso-3,6-diphenylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08038 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08766 164.7
[M+Na]+ 313.06960 174.0
[M-H]- 289.07310 175.0
[M+NH4]+ 308.11420 177.5
[M+K]+ 329.04354 169.8
[M+H-H2O]+ 273.07764 153.0
[M+HCOO]- 335.07858 192.6
[M+CH3COO]- 349.09423 177.4
[M+Na-2H]- 311.05505 173.9
[M]+ 290.07983 167.4
[M]- 290.08093 167.4
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.