CID 248680

5509-73-9

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂

SMILES

CCOC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl

InChI

InChI=1S/C12H11ClN2O2/c1-2-17-10-8-14-15(12(16)11(10)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3

InChIKey

WVTBPXHUBFHCQN-UHFFFAOYSA-N

Compound name

4-chloro-5-ethoxy-2-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 5
Patents: 250.0509 Da
Monoisotopic Mass: 2.4
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]+	251.05818	150.9
[M+Na]+	273.04012	162.1
[M-H]-	249.04362	155.4
[M+NH4]+	268.08472	166.6
[M+K]+	289.01406	157.1
[M+H-H2O]+	233.04816	142.7
[M+HCOO]-	295.04910	169.2
[M+CH3COO]-	309.06475	191.9
[M+Na-2H]-	271.02557	157.5
[M]+	250.05035	155.6
[M]-	250.05145	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe