CID 9860

1,18-difluorooctadecane

Structural Information

Molecular Formula
C18H36F2
SMILES
C(CCCCCCCCCF)CCCCCCCCF
InChI
InChI=1S/C18H36F2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-18H2
InChIKey
RZANIBRTDLBGEK-UHFFFAOYSA-N
Compound name
1,18-difluorooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

290.2785 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.28578 178.5
[M+Na]+ 313.26772 180.8
[M-H]- 289.27122 173.7
[M+NH4]+ 308.31232 194.3
[M+K]+ 329.24166 176.6
[M+H-H2O]+ 273.27576 169.9
[M+HCOO]- 335.27670 196.2
[M+CH3COO]- 349.29235 209.1
[M+Na-2H]- 311.25317 177.9
[M]+ 290.27795 182.0
[M]- 290.27905 182.0
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

patents stripe