CID 11761506

Dtxsid60895373

Structural Information

Molecular Formula
C13H13F13
SMILES
CCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H13F13/c1-2-3-4-5-6-7-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6-7H,2-5H2,1H3/b7-6+
InChIKey
CYIMORLVMXKPBZ-VOTSOKGWSA-N
Compound name
(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

416.08096 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.08824 185.8
[M+Na]+ 439.07018 193.7
[M-H]- 415.07368 171.2
[M+NH4]+ 434.11478 170.4
[M+K]+ 455.04412 188.9
[M+H-H2O]+ 399.07822 171.8
[M+HCOO]- 461.07916 185.2
[M+CH3COO]- 475.09481 225.9
[M+Na-2H]- 437.05563 186.7
[M]+ 416.08041 166.9
[M]- 416.08151 166.9
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.