CID 68421

563-11-1

Structural Information

Molecular Formula
C18H35F3O
SMILES
C(CCCF)CCC(CCCCCCF)(CCCCCF)O
InChI
InChI=1S/C18H35F3O/c19-15-9-3-1-6-12-18(22,14-8-5-11-17-21)13-7-2-4-10-16-20/h22H,1-17H2
InChIKey
UTCFMDBNPNXFAT-UHFFFAOYSA-N
Compound name
1,13-difluoro-7-(5-fluoropentyl)tridecan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.264 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.27128 185.1
[M+Na]+ 347.25322 187.5
[M-H]- 323.25672 177.7
[M+NH4]+ 342.29782 198.7
[M+K]+ 363.22716 182.7
[M+H-H2O]+ 307.26126 176.2
[M+HCOO]- 369.26220 198.9
[M+CH3COO]- 383.27785 211.2
[M+Na-2H]- 345.23867 184.1
[M]+ 324.26345 186.3
[M]- 324.26455 186.3
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.