CID 138396302

Dtxsid40895417

Structural Information

Molecular Formula
C16H14F18I2
SMILES
C(CCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I)CC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C16H14F18I2/c17-9(18,11(21,22)13(25,26)15(29,30)31)5-7(35)3-1-2-4-8(36)6-10(19,20)12(23,24)14(27,28)16(32,33)34/h7-8H,1-6H2
InChIKey
RPPYLFHZJAFBAV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,13,13,14,14,15,15,16,16,16-octadecafluoro-6,11-diiodohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

801.8898 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 802.89708 267.3
[M+Na]+ 824.87902 272.3
[M-H]- 800.88252 271.3
[M+NH4]+ 819.92362 275.9
[M+K]+ 840.85296 281.2
[M+H-H2O]+ 784.88706 258.6
[M+HCOO]- 846.88800 277.5
[M+CH3COO]- 860.90365 258.9
[M+Na-2H]- 822.86447 261.6
[M]+ 801.88925 261.8
[M]- 801.89035 261.8
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.