CID 138396317

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene

Structural Information

Molecular Formula
C17H19F15
SMILES
CCCCCCCCC=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H19F15/c1-2-3-4-5-6-7-8-9-10-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h9-10H,2-8H2,1H3
InChIKey
IQKOXEYYVMJQGE-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.12473 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.13201 182.4
[M+Na]+ 531.11395 188.5
[M-H]- 507.11745 183.7
[M+NH4]+ 526.15855 189.2
[M+K]+ 547.08789 196.5
[M+H-H2O]+ 491.12199 172.4
[M+HCOO]- 553.12293 201.6
[M+CH3COO]- 567.13858 242.1
[M+Na-2H]- 529.09940 178.8
[M]+ 508.12418 180.9
[M]- 508.12528 180.9
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.