CID 59636503

4-(trifluoromethyl)pyridazin-3-amine

Structural Information

Molecular Formula
C5H4F3N3
SMILES
C1=CN=NC(=C1C(F)(F)F)N
InChI
InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-11-4(3)9/h1-2H,(H2,9,11)
InChIKey
GVGRCXJNIFKXBR-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

163.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.043016 127.6
[M+Na]+ 186.024958 137.5
[M-H]- 162.028464 124.8
[M+NH4]+ 181.069563 145.3
[M+K]+ 201.998898 134.9
[M+H-H2O]+ 146.033000 118.4
[M+HCOO]- 208.033941 146.4
[M+CH3COO]- 222.049591 177.8
[M+Na-2H]- 184.010406 135.4
[M]+ 163.03519142 121.6
[M]- 163.03628858 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