CID 137964445

1,1-difluoro-5-azaspiro[2.4]heptan-6-one

Structural Information

Molecular Formula
C6H7F2NO
SMILES
C1C(=O)NCC12CC2(F)F
InChI
InChI=1S/C6H7F2NO/c7-6(8)2-5(6)1-4(10)9-3-5/h1-3H2,(H,9,10)
InChIKey
CKAVUERXUGCVDL-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-azaspiro[2.4]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.04958 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.056856 126.4
[M+Na]+ 170.038798 137.7
[M-H]- 146.042304 128.4
[M+NH4]+ 165.083403 146.6
[M+K]+ 186.012738 135.1
[M+H-H2O]+ 130.046840 120.8
[M+HCOO]- 192.047781 144.6
[M+CH3COO]- 206.063431 172.9
[M+Na-2H]- 168.024246 132.5
[M]+ 147.04903142 123.4
[M]- 147.05012858 123.4
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.