CID 61257870

3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine

Structural Information

Molecular Formula
C7H6ClF3N2O
SMILES
C1=CC(=NN=C1CCl)OCC(F)(F)F
InChI
InChI=1S/C7H6ClF3N2O/c8-3-5-1-2-6(13-12-5)14-4-7(9,10)11/h1-2H,3-4H2
InChIKey
SIBSWRSAPOKHRG-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01207 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01935 139.3
[M+Na]+ 249.00129 149.8
[M-H]- 225.00479 136.4
[M+NH4]+ 244.04589 155.8
[M+K]+ 264.97523 145.8
[M+H-H2O]+ 209.00933 130.3
[M+HCOO]- 271.01027 152.7
[M+CH3COO]- 285.02592 185.6
[M+Na-2H]- 246.98674 146.4
[M]+ 226.01152 139.1
[M]- 226.01262 139.1
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.