CID 2802863

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole

Structural Information

Molecular Formula
C8H9F3N2
SMILES
C1CCC2=C(C1)C(=NN2)C(F)(F)F
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)7-5-3-1-2-4-6(5)12-13-7/h1-4H2,(H,12,13)
InChIKey
KTULFINKQNWXNY-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

190.07178 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.079056 137.3
[M+Na]+ 213.060998 145.7
[M-H]- 189.064504 133.6
[M+NH4]+ 208.105603 156.4
[M+K]+ 229.034938 141.8
[M+H-H2O]+ 173.069040 128.5
[M+HCOO]- 235.069981 151.1
[M+CH3COO]- 249.085631 178.2
[M+Na-2H]- 211.046446 142.2
[M]+ 190.07123142 129.1
[M]- 190.07232858 129.1
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