CID 86199233

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodohexadecane

Structural Information

Molecular Formula
C16H20F13I
SMILES
CCCCCCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C16H20F13I/c1-2-3-4-5-6-7-8-10(30)9-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h10H,2-9H2,1H3
InChIKey
UOAVDNYZEXTDOI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

586.0402 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.04748 216.5
[M+Na]+ 609.02942 223.0
[M-H]- 585.03292 216.5
[M+NH4]+ 604.07402 223.2
[M+K]+ 625.00336 229.7
[M+H-H2O]+ 569.03746 191.2
[M+HCOO]- 631.03840 231.4
[M+CH3COO]- 645.05405 243.2
[M+Na-2H]- 607.01487 196.1
[M]+ 586.03965 213.1
[M]- 586.04075 213.1
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

patents stripe