CID 14458431

3-chloro-5h-chromeno[4,3-c]pyridazine

Structural Information

Molecular Formula
C11H7ClN2O
SMILES
C1C2=CC(=NN=C2C3=CC=CC=C3O1)Cl
InChI
InChI=1S/C11H7ClN2O/c12-10-5-7-6-15-9-4-2-1-3-8(9)11(7)14-13-10/h1-5H,6H2
InChIKey
CTTAKIWDRFXVBY-UHFFFAOYSA-N
Compound name
3-chloro-5H-chromeno[4,3-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.02469 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.031966 141.9
[M+Na]+ 241.013908 153.1
[M-H]- 217.017414 145.2
[M+NH4]+ 236.058513 159.4
[M+K]+ 256.987848 148.8
[M+H-H2O]+ 201.021950 134.2
[M+HCOO]- 263.022891 156.0
[M+CH3COO]- 277.038541 155.0
[M+Na-2H]- 238.999356 153.0
[M]+ 218.02414142 144.4
[M]- 218.02523858 144.4
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