CID 130631219

2402830-49-1

Structural Information

Molecular Formula
C8H10F3N3
SMILES
C1CC1C2=C(C=NN2CC(F)(F)F)N
InChI
InChI=1S/C8H10F3N3/c9-8(10,11)4-14-7(5-1-2-5)6(12)3-13-14/h3,5H,1-2,4,12H2
InChIKey
HROPGOUKYRNMFH-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08269 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.089966 138.2
[M+Na]+ 228.071908 149.2
[M-H]- 204.075414 139.3
[M+NH4]+ 223.116513 151.3
[M+K]+ 244.045848 144.3
[M+H-H2O]+ 188.079950 128.5
[M+HCOO]- 250.080891 157.3
[M+CH3COO]- 264.096541 189.6
[M+Na-2H]- 226.057356 141.9
[M]+ 205.08214142 135.7
[M]- 205.08323858 135.7
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.