CID 3061055

3(2h)-pyridazinone, 4-acetyl-5,6-bis(4-chlorophenyl)-2-methyl-

Structural Information

Molecular Formula
C19H14Cl2N2O2
SMILES
CC(=O)C1=C(C(=NN(C1=O)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14Cl2N2O2/c1-11(24)16-17(12-3-7-14(20)8-4-12)18(22-23(2)19(16)25)13-5-9-15(21)10-6-13/h3-10H,1-2H3
InChIKey
FVUWJVCWXIWHGX-UHFFFAOYSA-N
Compound name
4-acetyl-5,6-bis(4-chlorophenyl)-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.04324 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05052 181.4
[M+Na]+ 395.03246 193.6
[M-H]- 371.03596 188.6
[M+NH4]+ 390.07706 192.6
[M+K]+ 411.00640 185.8
[M+H-H2O]+ 355.04050 172.0
[M+HCOO]- 417.04144 192.5
[M+CH3COO]- 431.05709 192.4
[M+Na-2H]- 393.01791 182.6
[M]+ 372.04269 187.3
[M]- 372.04379 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.