CID 79423708

5,5-difluoropentan-2-one

Structural Information

Molecular Formula
C5H8F2O
SMILES
CC(=O)CCC(F)F
InChI
InChI=1S/C5H8F2O/c1-4(8)2-3-5(6)7/h5H,2-3H2,1H3
InChIKey
DQIKUJQMKMSQMO-UHFFFAOYSA-N
Compound name
5,5-difluoropentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 120.9
[M+Na]+ 145.04354 128.4
[M-H]- 121.04704 118.8
[M+NH4]+ 140.08814 143.2
[M+K]+ 161.01748 128.5
[M+H-H2O]+ 105.05158 115.0
[M+HCOO]- 167.05252 141.4
[M+CH3COO]- 181.06817 172.5
[M+Na-2H]- 143.02899 125.0
[M]+ 122.05377 118.8
[M]- 122.05487 118.8
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.