CID 138396289

Dtxsid90895341

Structural Information

Molecular Formula
C13H8F18I2
SMILES
C(C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C13H8F18I2/c14-6(15,8(18,19)10(22,23)12(26,27)28)2-4(32)1-5(33)3-7(16,17)9(20,21)11(24,25)13(29,30)31/h4-5H,1-3H2
InChIKey
CUJYVGKVAYEFKL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,10,10,11,11,12,12,13,13,13-octadecafluoro-6,8-diiodotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

759.8428 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 760.85008 259.1
[M+Na]+ 782.83202 264.5
[M-H]- 758.83552 263.8
[M+NH4]+ 777.87662 267.8
[M+K]+ 798.80596 272.6
[M+H-H2O]+ 742.84006 250.7
[M+HCOO]- 804.84100 270.1
[M+CH3COO]- 818.85665 253.4
[M+Na-2H]- 780.81747 254.5
[M]+ 759.84225 253.8
[M]- 759.84335 253.8
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.