CID 46738426

1-(perfluorohexyl)hexadecane

Structural Information

Molecular Formula
C22H33F13
SMILES
CCCCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C22H33F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h2-16H2,1H3
InChIKey
ZKYMFADZZFTYJH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodocosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

544.2375 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.24478 188.3
[M+Na]+ 567.22672 188.0
[M+NH4]+ 562.27132 187.2
[M+K]+ 583.20066 186.1
[M-H]- 543.23022 183.7
[M+Na-2H]- 565.21217 186.0
[M]+ 544.23695 186.8
[M]- 544.23805 186.8
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

patents stripe