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]+ 180.07431 133.1
[M+Na]+ 202.05625 142.9
[M-H]- 178.05975 129.1
[M+NH4]+ 197.10085 151.6
[M+K]+ 218.03019 139.6
[M+H-H2O]+ 162.06429 124.5
[M+HCOO]- 224.06523 150.9
[M+CH3COO]- 238.08088 179.5
[M+Na-2H]- 200.04170 136.9
[M]+ 179.06648 126.6
[M]- 179.06758 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.