CID 155351519

2,2-difluoro-6-azaspiro[3.4]octan-5-one

Structural Information

Molecular Formula
C7H9F2NO
SMILES
C1CNC(=O)C12CC(C2)(F)F
InChI
InChI=1S/C7H9F2NO/c8-7(9)3-6(4-7)1-2-10-5(6)11/h1-4H2,(H,10,11)
InChIKey
HPDKYLCLTPCUQZ-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-azaspiro[3.4]octan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

161.06522 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07250 129.1
[M+Na]+ 184.05444 136.9
[M-H]- 160.05794 130.2
[M+NH4]+ 179.09904 147.4
[M+K]+ 200.02838 136.8
[M+H-H2O]+ 144.06248 119.5
[M+HCOO]- 206.06342 146.1
[M+CH3COO]- 220.07907 175.3
[M+Na-2H]- 182.03989 134.1
[M]+ 161.06467 131.0
[M]- 161.06577 131.0
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