CID 6410592

78613-00-0

Structural Information

Molecular Formula
C20H16Cl2N2O3
SMILES
CC(=O)C1=C(C(=NN=C1OCCO)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16Cl2N2O3/c1-12(26)17-18(13-2-6-15(21)7-3-13)19(14-4-8-16(22)9-5-14)23-24-20(17)27-11-10-25/h2-9,25H,10-11H2,1H3
InChIKey
LRAITULQGHAQSK-UHFFFAOYSA-N
Compound name
1-[5,6-bis(4-chlorophenyl)-3-(2-hydroxyethoxy)pyridazin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0538 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.061076 188.7
[M+Na]+ 425.043018 198.7
[M-H]- 401.046524 194.1
[M+NH4]+ 420.087623 197.6
[M+K]+ 441.016958 191.1
[M+H-H2O]+ 385.051060 179.0
[M+HCOO]- 447.052001 198.1
[M+CH3COO]- 461.067651 218.5
[M+Na-2H]- 423.028466 189.9
[M]+ 402.05325142 194.8
[M]- 402.05434858 194.8
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.