CID 16228743

3-chloro-6-(furan-2-yl)-4-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula
C9H4ClF3N2O
SMILES
C1=COC(=C1)C2=NN=C(C(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C9H4ClF3N2O/c10-8-5(9(11,12)13)4-6(14-15-8)7-2-1-3-16-7/h1-4H
InChIKey
BAHPUWVJCYABSH-UHFFFAOYSA-N
Compound name
3-chloro-6-(furan-2-yl)-4-(trifluoromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.99643 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.003706 144.6
[M+Na]+ 270.985648 156.6
[M-H]- 246.989154 146.1
[M+NH4]+ 266.030253 160.7
[M+K]+ 286.959588 152.5
[M+H-H2O]+ 230.993690 135.0
[M+HCOO]- 292.994631 158.5
[M+CH3COO]- 307.010281 188.2
[M+Na-2H]- 268.971096 150.4
[M]+ 247.99588142 144.6
[M]- 247.99697858 144.6
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

No patent data available for this compound.