CID 74887

2043-55-2

Structural Information

Molecular Formula
C6H4F9I
SMILES
C(CI)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
InChIKey
CXHFIVFPHDGZIS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

421
Patents

373.9214 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.92868 152.7
[M+Na]+ 396.91062 155.1
[M-H]- 372.91412 136.8
[M+NH4]+ 391.95522 164.2
[M+K]+ 412.88456 158.1
[M+H-H2O]+ 356.91866 139.0
[M+HCOO]- 418.91960 156.4
[M+CH3COO]- 432.93525 205.1
[M+Na-2H]- 394.89607 145.6
[M]+ 373.92085 138.0
[M]- 373.92195 138.0
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