CID 121397668

1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C6H6F3N3
SMILES
C1=CC(=NN=C1CN)C(F)(F)F
InChI
InChI=1S/C6H6F3N3/c7-6(8,9)5-2-1-4(3-10)11-12-5/h1-2H,3,10H2
InChIKey
SHFWWUWZQKDAPJ-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)pyridazin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

177.05138 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.058656 132.2
[M+Na]+ 200.040598 141.7
[M-H]- 176.044104 129.2
[M+NH4]+ 195.085203 149.4
[M+K]+ 216.014538 138.8
[M+H-H2O]+ 160.048640 122.8
[M+HCOO]- 222.049581 150.7
[M+CH3COO]- 236.065231 180.8
[M+Na-2H]- 198.026046 139.5
[M]+ 177.05083142 126.6
[M]- 177.05192858 126.6
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

patents stripe