CID 20691951

3-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula
C5H3F3N2
SMILES
C1=CC(=NN=C1)C(F)(F)F
InChI
InChI=1S/C5H3F3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-3H
InChIKey
VVQHIHPZHJQYEY-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

484
Patents

148.02483 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03211 122.9
[M+Na]+ 171.01405 132.8
[M-H]- 147.01755 120.3
[M+NH4]+ 166.05865 141.5
[M+K]+ 186.98799 130.7
[M+H-H2O]+ 131.02209 113.9
[M+HCOO]- 193.02303 141.4
[M+CH3COO]- 207.03868 172.7
[M+Na-2H]- 168.99950 132.2
[M]+ 148.02428 118.3
[M]- 148.02538 118.3
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