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]+ 403.06108 188.7
[M+Na]+ 425.04302 198.7
[M-H]- 401.04652 194.1
[M+NH4]+ 420.08762 197.6
[M+K]+ 441.01696 191.1
[M+H-H2O]+ 385.05106 179.0
[M+HCOO]- 447.05200 198.1
[M+CH3COO]- 461.06765 218.5
[M+Na-2H]- 423.02847 189.9
[M]+ 402.05325 194.8
[M]- 402.05435 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.