CID 589268

23576-24-1

Structural Information

Molecular Formula

C₁₁H₇ClF₃N₃O

SMILES

C1=CC(=CC(=C1)N2C(=O)C(=C(C=N2)N)Cl)C(F)(F)F

InChI

InChI=1S/C11H7ClF3N3O/c12-9-8(16)5-17-18(10(9)19)7-3-1-2-6(4-7)11(13,14)15/h1-5H,16H2

InChIKey

JIEQNXJEEHWIDV-UHFFFAOYSA-N

Compound name

5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 289.02298 Da
Monoisotopic Mass: 1.6
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]+	290.03026	157.8
[M+Na]+	312.01220	169.5
[M+NH4]+	307.05680	162.7
[M+K]+	327.98614	164.0
[M-H]-	288.01570	156.2
[M+Na-2H]-	309.99765	164.0
[M]+	289.02243	159.0
[M]-	289.02353	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe