CID 99647797

Dtxsid50895428

Structural Information

Molecular Formula
C27H33F23
SMILES
CCCCCCCCCCCCCCCCC(C(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)(F)F
InChI
InChI=1S/C27H33F23/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)22(38,39)23(40,41)24(42,43)25(44,45)26(46,47)27(48,49)50/h2-16H2,1H3
InChIKey
MOUKMEQUQYGSIA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoroheptacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

794.2215 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 795.22878 229.9
[M+Na]+ 817.21072 232.2
[M-H]- 793.21422 234.8
[M+NH4]+ 812.25532 240.0
[M+K]+ 833.18466 248.8
[M+H-H2O]+ 777.21876 215.6
[M+HCOO]- 839.21970 244.7
[M+CH3COO]- 853.23535 281.0
[M+Na-2H]- 815.19617 225.2
[M]+ 794.22095 227.8
[M]- 794.22205 227.8
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.