CID 132371641

Methyl 1-fluoro-2-oxocyclooctane-1-carboxylate

Structural Information

Molecular Formula
C10H15FO3
SMILES
COC(=O)C1(CCCCCCC1=O)F
InChI
InChI=1S/C10H15FO3/c1-14-9(13)10(11)7-5-3-2-4-6-8(10)12/h2-7H2,1H3
InChIKey
QALOVNLUOJPBGW-UHFFFAOYSA-N
Compound name
methyl 1-fluoro-2-oxocyclooctane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.10052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10780 155.1
[M+Na]+ 225.08974 159.6
[M-H]- 201.09324 156.2
[M+NH4]+ 220.13434 164.5
[M+K]+ 241.06368 160.2
[M+H-H2O]+ 185.09778 151.5
[M+HCOO]- 247.09872 163.2
[M+CH3COO]- 261.11437 222.1
[M+Na-2H]- 223.07519 154.2
[M]+ 202.09997 153.4
[M]- 202.10107 153.4
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

No patent data available for this compound.