CID 2782212

1-(perfluoro-n-octyl)hexadecane

Structural Information

Molecular Formula
C24H33F17
SMILES
CCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H33F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h2-16H2,1H3
InChIKey
FTECWCULPOFDJS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

644.2311 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.23838 156.1
[M+Na]+ 667.22032 156.2
[M+NH4]+ 662.26492 156.3
[M+K]+ 683.19426 156.3
[M-H]- 643.22382 156.0
[M+Na-2H]- 665.20577 165.3
[M]+ 644.23055 156.2
[M]- 644.23165 156.2
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