CID 11581

2'-fluoroethyl 10-fluorodecanoate

Structural Information

Molecular Formula
C12H22F2O2
SMILES
C(CCCCC(=O)OCCF)CCCCF
InChI
InChI=1S/C12H22F2O2/c13-9-7-5-3-1-2-4-6-8-12(15)16-11-10-14/h1-11H2
InChIKey
ZUHZQTHCYZBUHF-UHFFFAOYSA-N
Compound name
2-fluoroethyl 10-fluorodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15878 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16606 156.8
[M+Na]+ 259.14800 161.7
[M-H]- 235.15150 153.2
[M+NH4]+ 254.19260 174.6
[M+K]+ 275.12194 159.8
[M+H-H2O]+ 219.15604 149.1
[M+HCOO]- 281.15698 176.2
[M+CH3COO]- 295.17263 194.0
[M+Na-2H]- 257.13345 158.2
[M]+ 236.15823 159.4
[M]- 236.15933 159.4
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.