CID 138396296

Dtxsid00895397

Structural Information

Molecular Formula
C15H12F18I2
SMILES
C(CC(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/C15H12F18I2/c16-8(17,10(20,21)12(24,25)14(28,29)30)4-6(34)2-1-3-7(35)5-9(18,19)11(22,23)13(26,27)15(31,32)33/h6-7H,1-5H2
InChIKey
LKBRVJJAQWSEDF-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,12,12,13,13,14,14,15,15,15-octadecafluoro-6,10-diiodopentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

787.8741 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 788.88138 264.6
[M+Na]+ 810.86332 269.7
[M-H]- 786.86682 268.8
[M+NH4]+ 805.90792 273.3
[M+K]+ 826.83726 278.3
[M+H-H2O]+ 770.87136 256.0
[M+HCOO]- 832.87230 275.0
[M+CH3COO]- 846.88795 257.1
[M+Na-2H]- 808.84877 259.3
[M]+ 787.87355 259.1
[M]- 787.87465 259.1
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

No patent data available for this compound.