CID 11658332

141420-01-1

Structural Information

Molecular Formula
C7H9FO3
SMILES
COC(=O)C1(CCCC1=O)F
InChI
InChI=1S/C7H9FO3/c1-11-6(10)7(8)4-2-3-5(7)9/h2-4H2,1H3
InChIKey
QZEOPPWQOABLEC-UHFFFAOYSA-N
Compound name
methyl 1-fluoro-2-oxocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.05357 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.060846 129.0
[M+Na]+ 183.042788 137.3
[M-H]- 159.046294 131.5
[M+NH4]+ 178.087393 153.5
[M+K]+ 199.016728 137.0
[M+H-H2O]+ 143.050830 124.4
[M+HCOO]- 205.051771 151.1
[M+CH3COO]- 219.067421 173.9
[M+Na-2H]- 181.028236 133.0
[M]+ 160.05302142 127.7
[M]- 160.05411858 127.7
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