CID 91158225

Dtxsid00895453

Structural Information

Molecular Formula
C32H41F25
SMILES
CCCCCCCCCCCCCCCCCCCCC(C(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)(F)F
InChI
InChI=1S/C32H41F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(33,34)22(35,36)23(37,38)24(39,40)25(41,42)26(43,44)27(45,46)28(47,48)29(49,50)30(51,52)31(53,54)32(55,56)57/h2-20H2,1H3
InChIKey
PVFJLWHOPPXJMD-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorodotriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

900.2809 Da
Monoisotopic Mass

19.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 901.28818 152.6
[M+Na]+ 923.27012 152.6
[M+NH4]+ 918.31472 152.6
[M+K]+ 939.24406 152.6
[M-H]- 899.27362 152.6
[M+Na-2H]- 921.25557 152.6
[M]+ 900.28035 152.6
[M]- 900.28145 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.