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

2
Patents

218.02469 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03197 141.9
[M+Na]+ 241.01391 153.1
[M-H]- 217.01741 145.2
[M+NH4]+ 236.05851 159.4
[M+K]+ 256.98785 148.8
[M+H-H2O]+ 201.02195 134.2
[M+HCOO]- 263.02289 156.0
[M+CH3COO]- 277.03854 155.0
[M+Na-2H]- 238.99936 153.0
[M]+ 218.02414 144.4
[M]- 218.02524 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