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]+ 249.00371 144.6
[M+Na]+ 270.98565 156.6
[M-H]- 246.98915 146.1
[M+NH4]+ 266.03025 160.7
[M+K]+ 286.95959 152.5
[M+H-H2O]+ 230.99369 135.0
[M+HCOO]- 292.99463 158.5
[M+CH3COO]- 307.01028 188.2
[M+Na-2H]- 268.97110 150.4
[M]+ 247.99588 144.6
[M]- 247.99698 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.