CID 59745719

137338-39-7

Structural Information

Molecular Formula
C28H41F17
SMILES
CCCCCCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C28H41F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45/h2-20H2,1H3
InChIKey
ZHXXMSNJEJNVHG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

700.2937 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 701.30098 156.5
[M+Na]+ 723.28292 156.6
[M+NH4]+ 718.32752 156.7
[M+K]+ 739.25686 156.6
[M-H]- 699.28642 156.4
[M+Na-2H]- 721.26837 156.2
[M]+ 700.29315 156.5
[M]- 700.29425 156.5
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