CID 439087

5-acetyl-3,4-bis(4-chlorophenyl)-6(1h)-pyridazinone

Structural Information

Molecular Formula
C18H12Cl2N2O2
SMILES
CC(=O)C1=C(C(=NNC1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H12Cl2N2O2/c1-10(23)15-16(11-2-6-13(19)7-3-11)17(21-22-18(15)24)12-4-8-14(20)9-5-12/h2-9H,1H3,(H,22,24)
InChIKey
VEKTYHRMOKSDMU-UHFFFAOYSA-N
Compound name
5-acetyl-3,4-bis(4-chlorophenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

358.0276 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03488 177.1
[M+Na]+ 381.01682 188.4
[M-H]- 357.02032 182.8
[M+NH4]+ 376.06142 187.8
[M+K]+ 396.99076 179.9
[M+H-H2O]+ 341.02486 168.1
[M+HCOO]- 403.02580 187.1
[M+CH3COO]- 417.04145 187.5
[M+Na-2H]- 379.00227 179.1
[M]+ 358.02705 180.4
[M]- 358.02815 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe