CID 12719

2-heptanone, 1-fluoro-

Structural Information

Molecular Formula
C7H13FO
SMILES
CCCCCC(=O)CF
InChI
InChI=1S/C7H13FO/c1-2-3-4-5-7(9)6-8/h2-6H2,1H3
InChIKey
XCTXZEPPGMEWAO-UHFFFAOYSA-N
Compound name
1-fluoroheptan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

132.09505 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.102326 127.6
[M+Na]+ 155.084268 134.5
[M-H]- 131.087774 126.4
[M+NH4]+ 150.128873 149.7
[M+K]+ 171.058208 134.0
[M+H-H2O]+ 115.092310 122.3
[M+HCOO]- 177.093251 149.5
[M+CH3COO]- 191.108901 174.9
[M+Na-2H]- 153.069716 132.4
[M]+ 132.09450142 128.2
[M]- 132.09559858 128.2
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

patents stripe