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

23
Patents

199.0124 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01968 133.7
[M+Na]+ 222.00162 144.9
[M-H]- 198.00512 130.9
[M+NH4]+ 217.04622 152.8
[M+K]+ 237.97556 140.8
[M+H-H2O]+ 182.00966 125.3
[M+HCOO]- 244.01060 148.6
[M+CH3COO]- 258.02625 182.9
[M+Na-2H]- 219.98707 138.0
[M]+ 199.01185 130.5
[M]- 199.01295 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