CID 261579

3-chloro-6-ethoxypyridazine

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CCOC1=NN=C(C=C1)Cl

InChI

InChI=1S/C6H7ClN2O/c1-2-10-6-4-3-5(7)8-9-6/h3-4H,2H2,1H3

InChIKey

FFEBQGWXQGASGB-UHFFFAOYSA-N

Compound name

3-chloro-6-ethoxypyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 158.02469 Da
Monoisotopic Mass: 1.3
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]+	159.03197	127.0
[M+Na]+	181.01391	137.4
[M-H]-	157.01741	128.1
[M+NH4]+	176.05851	146.3
[M+K]+	196.98785	134.6
[M+H-H2O]+	141.02195	120.7
[M+HCOO]-	203.02289	145.5
[M+CH3COO]-	217.03854	174.7
[M+Na-2H]-	178.99936	135.8
[M]+	158.02414	130.4
[M]-	158.02524	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe