CID 58126820

6-(trifluoromethyl)pyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C6H3F3N2O2
SMILES
C1=CC(=NN=C1C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-1-3(5(12)13)10-11-4/h1-2H,(H,12,13)
InChIKey
NJVZTXHNKXUAMB-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

192.01466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02194 139.0
[M+Na]+ 215.00388 147.5
[M+NH4]+ 210.04848 142.9
[M+K]+ 230.97782 144.5
[M-H]- 191.00738 133.6
[M+Na-2H]- 212.98933 142.4
[M]+ 192.01411 138.2
[M]- 192.01521 138.2
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

patents stripe