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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.03197	142.6
[M+Na]+	241.01391	160.5
[M+NH4]+	236.05851	153.1
[M+K]+	256.98785	151.7
[M-H]-	217.01741	147.5
[M+Na-2H]-	238.99936	150.8
[M]+	218.02414	147.2
[M]-	218.02524	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe