CID 10014

462-17-9

Structural Information

Molecular Formula
C19H36F2O
SMILES
C(CCCCC(=O)CCCCCCCCCF)CCCCF
InChI
InChI=1S/C19H36F2O/c20-17-13-9-5-1-3-7-11-15-19(22)16-12-8-4-2-6-10-14-18-21/h1-18H2
InChIKey
JZMMVCUAGAMIEF-UHFFFAOYSA-N
Compound name
1,19-difluorononadecan-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2734 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.28068 185.6
[M+Na]+ 341.26262 187.5
[M-H]- 317.26612 180.6
[M+NH4]+ 336.30722 200.0
[M+K]+ 357.23656 183.3
[M+H-H2O]+ 301.27066 176.7
[M+HCOO]- 363.27160 202.4
[M+CH3COO]- 377.28725 213.7
[M+Na-2H]- 339.24807 183.2
[M]+ 318.27285 189.5
[M]- 318.27395 189.5
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.