CID 155822021

6,6-difluorospiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C7H8F2O
SMILES
C1CC2(C1=O)CC(C2)(F)F
InChI
InChI=1S/C7H8F2O/c8-7(9)3-6(4-7)2-1-5(6)10/h1-4H2
InChIKey
MCHFEYMVSVMNDV-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[3.3]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06160 121.1
[M+Na]+ 169.04354 128.3
[M-H]- 145.04704 125.3
[M+NH4]+ 164.08814 133.3
[M+K]+ 185.01748 131.8
[M+H-H2O]+ 129.05158 109.4
[M+HCOO]- 191.05252 138.7
[M+CH3COO]- 205.06817 187.1
[M+Na-2H]- 167.02899 127.9
[M]+ 146.05377 134.0
[M]- 146.05487 134.0
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

No patent data available for this compound.