CID 2776160

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene

Structural Information

Molecular Formula
C16H19F13
SMILES
CCCCCCCCC=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H19F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9-10H,2-8H2,1H3
InChIKey
UFXJXRIUXCGTRG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

458.12793 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.13521 199.3
[M+Na]+ 481.11715 182.8
[M-H]- 457.12065 175.6
[M+NH4]+ 476.16175 181.7
[M+K]+ 497.09109 200.6
[M+H-H2O]+ 441.12519 184.8
[M+HCOO]- 503.12613 195.6
[M+CH3COO]- 517.14178 234.0
[M+Na-2H]- 479.10260 198.8
[M]+ 458.12738 175.0
[M]- 458.12848 175.0
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