CID 33782881

4-ethyl-3-(trifluoromethyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C6H8F3N3
SMILES
CCC1=C(NN=C1N)C(F)(F)F
InChI
InChI=1S/C6H8F3N3/c1-2-3-4(6(7,8)9)11-12-5(3)10/h2H2,1H3,(H3,10,11,12)
InChIKey
ZDYFUOUXDUPYAQ-UHFFFAOYSA-N
Compound name
4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06703 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.074306 133.1
[M+Na]+ 202.056248 142.9
[M-H]- 178.059754 129.1
[M+NH4]+ 197.100853 151.6
[M+K]+ 218.030188 139.6
[M+H-H2O]+ 162.064290 124.5
[M+HCOO]- 224.065231 150.9
[M+CH3COO]- 238.080881 179.5
[M+Na-2H]- 200.041696 136.9
[M]+ 179.06648142 126.6
[M]- 179.06757858 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

No patent data available for this compound.