CID 12257504

3-chloro-6-(3-nitrophenyl)pyridazine

Structural Information

Molecular Formula
C10H6ClN3O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(C=C2)Cl
InChI
InChI=1S/C10H6ClN3O2/c11-10-5-4-9(12-13-10)7-2-1-3-8(6-7)14(15)16/h1-6H
InChIKey
LRAQNZJWWRMXFF-UHFFFAOYSA-N
Compound name
3-chloro-6-(3-nitrophenyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

235.01485 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02213 146.2
[M+Na]+ 258.00407 155.1
[M-H]- 234.00757 150.3
[M+NH4]+ 253.04867 160.9
[M+K]+ 273.97801 146.6
[M+H-H2O]+ 218.01211 142.7
[M+HCOO]- 280.01305 165.5
[M+CH3COO]- 294.02870 182.9
[M+Na-2H]- 255.98952 155.6
[M]+ 235.01430 146.3
[M]- 235.01540 146.3
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

patents stripe