CID 138396284

Dtxsid60895277

Structural Information

Molecular Formula
C14H14F15I
SMILES
CCCCCC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C14H14F15I/c1-2-3-4-5-7(30)6-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h7H,2-6H2,1H3
InChIKey
HAOJSOMNGULWCF-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

593.99005 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.99733 211.5
[M+Na]+ 616.97927 217.9
[M-H]- 592.98277 214.2
[M+NH4]+ 612.02387 219.5
[M+K]+ 632.95321 225.5
[M+H-H2O]+ 576.98731 202.4
[M+HCOO]- 638.98825 227.3
[M+CH3COO]- 653.00390 243.3
[M+Na-2H]- 614.96472 206.9
[M]+ 593.98950 208.3
[M]- 593.99060 208.3
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