CID 131444079

3-chloro-5-(pentafluoroethyl)pyridazine

Structural Information

Molecular Formula
C6H2ClF5N2
SMILES
C1=C(C=NN=C1Cl)C(C(F)(F)F)(F)F
InChI
InChI=1S/C6H2ClF5N2/c7-4-1-3(2-13-14-4)5(8,9)6(10,11)12/h1-2H
InChIKey
SSUCOPIACIBZKJ-UHFFFAOYSA-N
Compound name
3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98267 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98995 137.0
[M+Na]+ 254.97189 148.5
[M-H]- 230.97539 132.0
[M+NH4]+ 250.01649 153.2
[M+K]+ 270.94583 143.7
[M+H-H2O]+ 214.97993 126.9
[M+HCOO]- 276.98087 146.7
[M+CH3COO]- 290.99652 186.9
[M+Na-2H]- 252.95734 144.1
[M]+ 231.98212 131.9
[M]- 231.98322 131.9
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.