CID 101648

7-tridecanone, 1,13-difluoro-

Structural Information

Molecular Formula
C13H24F2O
SMILES
C(CCCC(=O)CCCCCF)CCCF
InChI
InChI=1S/C13H24F2O/c14-11-7-3-1-2-5-9-13(16)10-6-4-8-12-15/h1-12H2
InChIKey
UWHIFMOTBNLHAA-UHFFFAOYSA-N
Compound name
1,13-difluorotridecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17952 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18680 158.2
[M+Na]+ 257.16874 162.6
[M-H]- 233.17224 154.4
[M+NH4]+ 252.21334 176.0
[M+K]+ 273.14268 160.0
[M+H-H2O]+ 217.17678 150.6
[M+HCOO]- 279.17772 177.0
[M+CH3COO]- 293.19337 195.8
[M+Na-2H]- 255.15419 159.1
[M]+ 234.17897 159.8
[M]- 234.18007 159.8
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.