CID 154577034

2418692-70-1

Structural Information

Molecular Formula
C10H15FO3
SMILES
CCOC(=O)C(C1CCC(=O)CC1)F
InChI
InChI=1S/C10H15FO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h7,9H,2-6H2,1H3
InChIKey
KBSWSFLKHYVHTH-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.10052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10780 143.3
[M+Na]+ 225.08974 148.2
[M-H]- 201.09324 144.7
[M+NH4]+ 220.13434 162.1
[M+K]+ 241.06368 147.6
[M+H-H2O]+ 185.09778 136.8
[M+HCOO]- 247.09872 161.2
[M+CH3COO]- 261.11437 184.7
[M+Na-2H]- 223.07519 144.3
[M]+ 202.09997 140.1
[M]- 202.10107 140.1
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.