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

89
Patents

190.07178 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 137.3
[M+Na]+ 213.06100 145.7
[M-H]- 189.06450 133.6
[M+NH4]+ 208.10560 156.4
[M+K]+ 229.03494 141.8
[M+H-H2O]+ 173.06904 128.5
[M+HCOO]- 235.06998 151.1
[M+CH3COO]- 249.08563 178.2
[M+Na-2H]- 211.04645 142.2
[M]+ 190.07123 129.1
[M]- 190.07233 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