CID 33676184

3-chloro-6-(naphthalen-2-yl)pyridazine

Structural Information

Molecular Formula
C14H9ClN2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2/c15-14-8-7-13(16-17-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H
InChIKey
LVWAJXKVBFQKQG-UHFFFAOYSA-N
Compound name
3-chloro-6-naphthalen-2-ylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.04543 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05271 150.4
[M+Na]+ 263.03465 161.2
[M-H]- 239.03815 155.2
[M+NH4]+ 258.07925 167.0
[M+K]+ 279.00859 154.3
[M+H-H2O]+ 223.04269 141.6
[M+HCOO]- 285.04363 167.1
[M+CH3COO]- 299.05928 163.0
[M+Na-2H]- 261.02010 159.7
[M]+ 240.04488 152.0
[M]- 240.04598 152.0
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.