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]+ 148.05686 126.4
[M+Na]+ 170.03880 137.7
[M-H]- 146.04230 128.4
[M+NH4]+ 165.08340 146.6
[M+K]+ 186.01274 135.1
[M+H-H2O]+ 130.04684 120.8
[M+HCOO]- 192.04778 144.6
[M+CH3COO]- 206.06343 172.9
[M+Na-2H]- 168.02425 132.5
[M]+ 147.04903 123.4
[M]- 147.05013 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.