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
2
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 200.1
[M+Na]+ 567.22672 205.3
[M-H]- 543.23022 196.9
[M+NH4]+ 562.27132 205.2
[M+K]+ 583.20066 213.8
[M+H-H2O]+ 527.23476 190.7
[M+HCOO]- 589.23570 216.7
[M+CH3COO]- 603.25135 251.4
[M+Na-2H]- 565.21217 193.1
[M]+ 544.23695 198.4
[M]- 544.23805 198.4
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