CID 19619545

4-chloro-1-(2,2,2-trifluoroethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H5ClF3N3
SMILES
C1=C(C(=NN1CC(F)(F)F)N)Cl
InChI
InChI=1S/C5H5ClF3N3/c6-3-1-12(11-4(3)10)2-5(7,8)9/h1H,2H2,(H2,10,11)
InChIKey
FEGWHDOWQAVIAF-UHFFFAOYSA-N
Compound name
4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

199.0124 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.019676 133.7
[M+Na]+ 222.001618 144.9
[M-H]- 198.005124 130.9
[M+NH4]+ 217.046223 152.8
[M+K]+ 237.975558 140.8
[M+H-H2O]+ 182.009660 125.3
[M+HCOO]- 244.010601 148.6
[M+CH3COO]- 258.026251 182.9
[M+Na-2H]- 219.987066 138.0
[M]+ 199.01185142 130.5
[M]- 199.01294858 130.5
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