CID 69175078

1092459-45-4

Structural Information

Molecular Formula
C10H11F3N2O2
SMILES
C1CC2(CC3=C1NN=C3C(F)(F)F)OCCO2
InChI
InChI=1S/C10H11F3N2O2/c11-10(12,13)8-6-5-9(16-3-4-17-9)2-1-7(6)14-15-8/h1-5H2,(H,14,15)
InChIKey
FVZMHORKMDVJBU-UHFFFAOYSA-N
Compound name
3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

248.07726 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08454 149.1
[M+Na]+ 271.06648 157.6
[M-H]- 247.06998 149.1
[M+NH4]+ 266.11108 167.1
[M+K]+ 287.04042 156.1
[M+H-H2O]+ 231.07452 141.2
[M+HCOO]- 293.07546 160.2
[M+CH3COO]- 307.09111 160.1
[M+Na-2H]- 269.05193 153.7
[M]+ 248.07671 142.5
[M]- 248.07781 142.5
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