CID 138396293

1,1,1,2,2,3,3,4,4-nonafluorooctadec-5-ene

Structural Information

Molecular Formula
C18H27F9
SMILES
CCCCCCCCCCCCC=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H27F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(19,20)16(21,22)17(23,24)18(25,26)27/h13-14H,2-12H2,1H3
InChIKey
ZHLCQJIGPWWKTA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorooctadec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

414.1969 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20418 196.8
[M+Na]+ 437.18612 201.8
[M-H]- 413.18962 184.5
[M+NH4]+ 432.23072 183.2
[M+K]+ 453.16006 196.0
[M+H-H2O]+ 397.19416 184.1
[M+HCOO]- 459.19510 198.8
[M+CH3COO]- 473.21075 227.8
[M+Na-2H]- 435.17157 195.3
[M]+ 414.19635 187.1
[M]- 414.19745 187.1
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.