CID 98452396

1,1,1,2,2,3,3,4,4-nonafluoroicosane

Structural Information

Molecular Formula
C20H33F9
SMILES
CCCCCCCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H33F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(21,22)18(23,24)19(25,26)20(27,28)29/h2-16H2,1H3
InChIKey
JXIKOKQJJJIZMC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoroicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

444.24387 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.25115 207.5
[M+Na]+ 467.23309 211.3
[M-H]- 443.23659 194.7
[M+NH4]+ 462.27769 192.3
[M+K]+ 483.20703 205.5
[M+H-H2O]+ 427.24113 194.2
[M+HCOO]- 489.24207 206.8
[M+CH3COO]- 503.25772 235.1
[M+Na-2H]- 465.21854 204.9
[M]+ 444.24332 199.3
[M]- 444.24442 199.3
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