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
2
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 225.7
[M+Na]+ 723.28292 229.0
[M-H]- 699.28642 224.9
[M+NH4]+ 718.32752 233.1
[M+K]+ 739.25686 242.8
[M+H-H2O]+ 683.29096 213.2
[M+HCOO]- 745.29190 240.4
[M+CH3COO]- 759.30755 274.9
[M+Na-2H]- 721.26837 217.7
[M]+ 700.29315 223.4
[M]- 700.29425 223.4
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