CID 11062402

2-cyclohepten-1-one, 2-fluoro-

Structural Information

Molecular Formula
C7H9FO
SMILES
C1CCC(=O)C(=CC1)F
InChI
InChI=1S/C7H9FO/c8-6-4-2-1-3-5-7(6)9/h4H,1-3,5H2
InChIKey
IXLVMTWLZOLAGK-UHFFFAOYSA-N
Compound name
2-fluorocyclohept-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.06374 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07102 119.6
[M+Na]+ 151.05296 129.1
[M+NH4]+ 146.09756 127.5
[M+K]+ 167.02690 124.9
[M-H]- 127.05646 120.2
[M+Na-2H]- 149.03841 125.7
[M]+ 128.06319 121.0
[M]- 128.06429 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.