CID 162345377

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene

Structural Information

Molecular Formula
C15H2F28
SMILES
C=C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C15H2F28/c1-2(16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)43/h1H2
InChIKey
ORRADWOAITXXMO-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

713.97095 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.97823 201.8
[M+Na]+ 736.96017 205.6
[M-H]- 712.96367 213.2
[M+NH4]+ 732.00477 214.1
[M+K]+ 752.93411 220.3
[M+H-H2O]+ 696.96821 189.1
[M+HCOO]- 758.96915 217.9
[M+CH3COO]- 772.98480 263.9
[M+Na-2H]- 734.94562 204.2
[M]+ 713.97040 199.1
[M]- 713.97150 199.1
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.