CID 72214546

1-(3,6-dichloropyridazin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C6H4Cl2N2O
SMILES
CC(=O)C1=CC(=NN=C1Cl)Cl
InChI
InChI=1S/C6H4Cl2N2O/c1-3(11)4-2-5(7)9-10-6(4)8/h2H,1H3
InChIKey
ULSBGXGBXJVHJH-UHFFFAOYSA-N
Compound name
1-(3,6-dichloropyridazin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.97006 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.97734 130.2
[M+Na]+ 212.95928 141.7
[M-H]- 188.96278 131.0
[M+NH4]+ 208.00388 148.7
[M+K]+ 228.93322 137.5
[M+H-H2O]+ 172.96732 124.8
[M+HCOO]- 234.96826 142.7
[M+CH3COO]- 248.98391 180.6
[M+Na-2H]- 210.94473 136.4
[M]+ 189.96951 133.6
[M]- 189.97061 133.6
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

patents stripe