CID 32783

9-iodoperfluoro(2-methyl-3-oxanonane)

Structural Information

Molecular Formula
C9F19IO
SMILES
C(C(F)(F)F)(C(F)(F)F)(OC(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9F19IO/c10-1(11,3(14,15)8(25,26)29)2(12,13)4(16,17)9(27,28)30-5(18,6(19,20)21)7(22,23)24
InChIKey
LFJNSTDXWXWXRL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-iodohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4
Patents

611.8691 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.87638 197.4
[M+Na]+ 634.85832 202.8
[M-H]- 610.86182 204.2
[M+NH4]+ 629.90292 206.9
[M+K]+ 650.83226 211.4
[M+H-H2O]+ 594.86636 186.7
[M+HCOO]- 656.86730 216.7
[M+CH3COO]- 670.88295 241.9
[M+Na-2H]- 632.84377 195.9
[M]+ 611.86855 194.7
[M]- 611.86965 194.7
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

patents stripe