CID 53404474

2044713-80-4

Structural Information

Molecular Formula
C6H2ClF3N2O2
SMILES
C1=C(C(=NN=C1Cl)C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H2ClF3N2O2/c7-3-1-2(6(8,9)10)4(5(13)14)12-11-3/h1H,(H,13,14)
InChIKey
WCCPLLFNAXNRKI-UHFFFAOYSA-N
Compound name
6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.9757 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.982976 135.9
[M+Na]+ 248.964918 147.3
[M-H]- 224.968424 132.4
[M+NH4]+ 244.009523 151.8
[M+K]+ 264.938858 143.0
[M+H-H2O]+ 208.972960 127.8
[M+HCOO]- 270.973901 147.6
[M+CH3COO]- 284.989551 183.1
[M+Na-2H]- 246.950366 141.3
[M]+ 225.97515142 134.0
[M]- 225.97624858 134.0
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.