CID 75480434

2803856-55-3

Structural Information

Molecular Formula
C9H12F3N3
SMILES
C1CC(C2=NN(C=C2C1)CC(F)(F)F)N
InChI
InChI=1S/C9H12F3N3/c10-9(11,12)5-15-4-6-2-1-3-7(13)8(6)14-15/h4,7H,1-3,5,13H2
InChIKey
ANSGDWDSGHKSPN-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.09833 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10561 145.3
[M+Na]+ 242.08755 153.7
[M-H]- 218.09105 142.6
[M+NH4]+ 237.13215 163.6
[M+K]+ 258.06149 150.0
[M+H-H2O]+ 202.09559 135.9
[M+HCOO]- 264.09653 160.6
[M+CH3COO]- 278.11218 189.1
[M+Na-2H]- 240.07300 149.0
[M]+ 219.09778 138.0
[M]- 219.09888 138.0
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.