CID 67123099

5-(trifluoromethyl)pyridazin-3-amine

Structural Information

Molecular Formula
C5H4F3N3
SMILES
C1=C(C=NN=C1N)C(F)(F)F
InChI
InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-10-2-3/h1-2H,(H2,9,11)
InChIKey
NMHGKWPZNCTIHR-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

163.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04302 127.6
[M+Na]+ 186.02496 137.5
[M-H]- 162.02846 124.8
[M+NH4]+ 181.06956 145.3
[M+K]+ 201.99890 134.9
[M+H-H2O]+ 146.03300 118.4
[M+HCOO]- 208.03394 146.4
[M+CH3COO]- 222.04959 177.8
[M+Na-2H]- 184.01041 135.4
[M]+ 163.03519 121.6
[M]- 163.03629 121.6
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