CID 146153130

5-methyl-4-(trifluoromethyl)pyridazin-3-amine

Structural Information

Molecular Formula
C6H6F3N3
SMILES
CC1=CN=NC(=C1C(F)(F)F)N
InChI
InChI=1S/C6H6F3N3/c1-3-2-11-12-5(10)4(3)6(7,8)9/h2H,1H3,(H2,10,12)
InChIKey
BVGSKBGPEJDGRZ-UHFFFAOYSA-N
Compound name
5-methyl-4-(trifluoromethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05138 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05866 132.5
[M+Na]+ 200.04060 143.0
[M-H]- 176.04410 129.9
[M+NH4]+ 195.08520 149.9
[M+K]+ 216.01454 140.0
[M+H-H2O]+ 160.04864 123.4
[M+HCOO]- 222.04958 151.0
[M+CH3COO]- 236.06523 182.0
[M+Na-2H]- 198.02605 139.0
[M]+ 177.05083 127.2
[M]- 177.05193 127.2
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

No patent data available for this compound.