CID 101751958

Dtxsid10895363

Structural Information

Molecular Formula
C12H14F9I
SMILES
CCCCCC/C(=C\C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/I
InChI
InChI=1S/C12H14F9I/c1-2-3-4-5-6-8(22)7-9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,2-6H2,1H3/b8-7+
InChIKey
HLLNKYADPLDRRE-BQYQJAHWSA-N
Compound name
(E)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iodododec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

455.99966 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.00694 178.4
[M+Na]+ 478.98888 178.8
[M-H]- 454.99238 161.6
[M+NH4]+ 474.03348 186.9
[M+K]+ 494.96282 180.2
[M+H-H2O]+ 438.99692 163.9
[M+HCOO]- 500.99786 179.6
[M+CH3COO]- 515.01351 220.4
[M+Na-2H]- 476.97433 167.4
[M]+ 455.99911 164.5
[M]- 456.00021 164.5
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.