CID 46738436

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorohexacosane

Structural Information

Molecular Formula
C26H33F21
SMILES
CCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C26H33F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)47/h2-16H2,1H3
InChIKey
LZENXKBSJNMIKY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorohexacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

744.2247 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.23198 223.9
[M+Na]+ 767.21392 226.6
[M-H]- 743.21742 227.4
[M+NH4]+ 762.25852 233.3
[M+K]+ 783.18786 242.1
[M+H-H2O]+ 727.22196 210.1
[M+HCOO]- 789.22290 239.2
[M+CH3COO]- 803.23855 276.7
[M+Na-2H]- 765.19937 218.6
[M]+ 744.22415 221.8
[M]- 744.22525 221.8
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

No patent data available for this compound.