CID 2782590

1,6-diiodo-3,3,4,4-tetrafluorohexane

Structural Information

Molecular Formula
C6H8F4I2
SMILES
C(CI)C(C(CCI)(F)F)(F)F
InChI
InChI=1S/C6H8F4I2/c7-5(8,1-3-11)6(9,10)2-4-12/h1-4H2
InChIKey
JFYZKVSETQEPKR-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoro-1,6-diiodohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
Patents

409.86517 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.87245 145.2
[M+Na]+ 432.85439 138.7
[M-H]- 408.85789 130.6
[M+NH4]+ 427.89899 153.9
[M+K]+ 448.82833 148.5
[M+H-H2O]+ 392.86243 132.7
[M+HCOO]- 454.86337 151.3
[M+CH3COO]- 468.87902 207.1
[M+Na-2H]- 430.83984 132.9
[M]+ 409.86462 137.2
[M]- 409.86572 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe