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]+ 220.105606 145.3
[M+Na]+ 242.087548 153.7
[M-H]- 218.091054 142.6
[M+NH4]+ 237.132153 163.6
[M+K]+ 258.061488 150.0
[M+H-H2O]+ 202.095590 135.9
[M+HCOO]- 264.096531 160.6
[M+CH3COO]- 278.112181 189.1
[M+Na-2H]- 240.072996 149.0
[M]+ 219.09778142 138.0
[M]- 219.09887858 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.