CID 11062402

2-fluorocyclohept-2-en-1-one

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 115.5
[M+Na]+ 151.05296 120.8
[M-H]- 127.05646 118.8
[M+NH4]+ 146.09756 136.1
[M+K]+ 167.02690 124.0
[M+H-H2O]+ 111.06100 110.8
[M+HCOO]- 173.06194 136.4
[M+CH3COO]- 187.07759 173.4
[M+Na-2H]- 149.03841 121.7
[M]+ 128.06319 108.9
[M]- 128.06429 108.9
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.