CID 137966067

1,1-difluoro-5-azaspiro[2.5]octan-4-one

Structural Information

Molecular Formula
C7H9F2NO
SMILES
C1CC2(CC2(F)F)C(=O)NC1
InChI
InChI=1S/C7H9F2NO/c8-7(9)4-6(7)2-1-3-10-5(6)11/h1-4H2,(H,10,11)
InChIKey
BMTDJDNJZHRYBM-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-azaspiro[2.5]octan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 133.3
[M+Na]+ 184.05444 143.3
[M-H]- 160.05794 135.0
[M+NH4]+ 179.09904 151.2
[M+K]+ 200.02838 141.1
[M+H-H2O]+ 144.06248 126.9
[M+HCOO]- 206.06342 149.3
[M+CH3COO]- 220.07907 176.0
[M+Na-2H]- 182.03989 139.9
[M]+ 161.06467 128.6
[M]- 161.06577 128.6
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.