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
1
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]+ 133.10233 127.6
[M+Na]+ 155.08427 134.5
[M-H]- 131.08777 126.4
[M+NH4]+ 150.12887 149.7
[M+K]+ 171.05821 134.0
[M+H-H2O]+ 115.09231 122.3
[M+HCOO]- 177.09325 149.5
[M+CH3COO]- 191.10890 174.9
[M+Na-2H]- 153.06972 132.4
[M]+ 132.09450 128.2
[M]- 132.09560 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