CID 10864207

Dtxsid70895465

Structural Information

Molecular Formula
C15H13F17
SMILES
CCCCC/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
InChI
InChI=1S/C15H13F17/c1-2-3-4-5-6-7-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6-7H,2-5H2,1H3/b7-6+
InChIKey
ZTVGSHHXGFOBPF-VOTSOKGWSA-N
Compound name
(E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-6-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

516.0746 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.08188 178.0
[M+Na]+ 539.06382 184.0
[M-H]- 515.06732 182.0
[M+NH4]+ 534.10842 186.1
[M+K]+ 555.03776 192.9
[M+H-H2O]+ 499.07186 167.2
[M+HCOO]- 561.07280 197.9
[M+CH3COO]- 575.08845 242.2
[M+Na-2H]- 537.04927 176.1
[M]+ 516.07405 176.7
[M]- 516.07515 176.7
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.