CID 62784964

3-chloro-5h,7h,8h-pyrano[4,3-c]pyridazine

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
C1COCC2=CC(=NN=C21)Cl
InChI
InChI=1S/C7H7ClN2O/c8-7-3-5-4-11-2-1-6(5)9-10-7/h3H,1-2,4H2
InChIKey
UICWLNDRGTYAHW-UHFFFAOYSA-N
Compound name
3-chloro-7,8-dihydro-5H-pyrano[4,3-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

170.02469 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.031966 130.2
[M+Na]+ 193.013908 139.6
[M-H]- 169.017414 132.2
[M+NH4]+ 188.058513 148.4
[M+K]+ 208.987848 137.3
[M+H-H2O]+ 153.021950 123.3
[M+HCOO]- 215.022891 144.3
[M+CH3COO]- 229.038541 143.4
[M+Na-2H]- 190.999356 140.2
[M]+ 170.02414142 130.5
[M]- 170.02523858 130.5
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