CID 155973131

7-(trifluoromethyl)spiro[3.5]nonan-1-one

Structural Information

Molecular Formula
C10H13F3O
SMILES
C1CC2(CCC1C(F)(F)F)CCC2=O
InChI
InChI=1S/C10H13F3O/c11-10(12,13)7-1-4-9(5-2-7)6-3-8(9)14/h7H,1-6H2
InChIKey
ALLYXCGEBVWLHY-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)spiro[3.5]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09184 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09912 140.4
[M+Na]+ 229.08106 146.4
[M-H]- 205.08456 142.0
[M+NH4]+ 224.12566 155.3
[M+K]+ 245.05500 146.8
[M+H-H2O]+ 189.08910 129.1
[M+HCOO]- 251.09004 154.5
[M+CH3COO]- 265.10569 187.0
[M+Na-2H]- 227.06651 144.8
[M]+ 206.09129 140.5
[M]- 206.09239 140.5
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

No patent data available for this compound.