CID 146049306

2411256-69-2

Structural Information

Molecular Formula
C8H6ClF3N2O2
SMILES
COC(=O)CC1=CC(=C(N=N1)Cl)C(F)(F)F
InChI
InChI=1S/C8H6ClF3N2O2/c1-16-6(15)3-4-2-5(8(10,11)12)7(9)14-13-4/h2H,3H2,1H3
InChIKey
OGSAXJKEOSMIAT-UHFFFAOYSA-N
Compound name
methyl 2-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00699 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01427 150.1
[M+Na]+ 276.99621 159.7
[M+NH4]+ 272.04081 154.3
[M+K]+ 292.97015 155.5
[M-H]- 252.99971 145.2
[M+Na-2H]- 274.98166 153.5
[M]+ 254.00644 149.9
[M]- 254.00754 149.9
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.