CID 266117

21680-48-8

Structural Information

Molecular Formula
C13H12F3N3O2
SMILES
C1CC(CC2(C1)C(C(=O)NC(=O)C2C#N)C#N)C(F)(F)F
InChI
InChI=1S/C13H12F3N3O2/c14-13(15,16)7-2-1-3-12(4-7)8(5-17)10(20)19-11(21)9(12)6-18/h7-9H,1-4H2,(H,19,20,21)
InChIKey
QCJGSFGIQVZCKD-UHFFFAOYSA-N
Compound name
2,4-dioxo-10-(trifluoromethyl)-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

299.08817 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09545 164.6
[M+Na]+ 322.07739 174.0
[M-H]- 298.08089 164.5
[M+NH4]+ 317.12199 174.8
[M+K]+ 338.05133 167.5
[M+H-H2O]+ 282.08543 148.6
[M+HCOO]- 344.08637 168.4
[M+CH3COO]- 358.10202 225.3
[M+Na-2H]- 320.06284 164.1
[M]+ 299.08762 149.2
[M]- 299.08872 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.