CID 138396286

Dtxsid90895301

Structural Information

Molecular Formula
C13H12F14I2
SMILES
C(CC(CC(C(C(F)(F)F)(F)F)(F)F)I)CC(CC(C(C(F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C13H12F14I2/c14-8(15,10(18,19)12(22,23)24)4-6(28)2-1-3-7(29)5-9(16,17)11(20,21)13(25,26)27/h6-7H,1-5H2
InChIKey
LVVNOPVZNPTTLA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,11,11,12,12,13,13,13-tetradecafluoro-5,9-diiodotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

687.8805 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.88778 187.3
[M+Na]+ 710.86972 262.3
[M-H]- 686.87322 257.8
[M+NH4]+ 705.91432 263.2
[M+K]+ 726.84366 188.5
[M+H-H2O]+ 670.87776 170.0
[M+HCOO]- 732.87870 266.9
[M+CH3COO]- 746.89435 245.8
[M+Na-2H]- 708.85517 171.7
[M]+ 687.87995 250.7
[M]- 687.88105 250.7
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.