CID 45075723

25080-25-5

Structural Information

Molecular Formula
C11H4F19IO
SMILES
C(CI)C(C(C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H4F19IO/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)11(29,30)32-8(22,9(23,24)25)10(26,27)28/h1-2H2
InChIKey
GGAZEYOGKLDXNZ-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)-8-iodooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

639.9003 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.90758 204.2
[M+Na]+ 662.88952 209.3
[M-H]- 638.89302 210.4
[M+NH4]+ 657.93412 213.6
[M+K]+ 678.86346 218.5
[M+H-H2O]+ 622.89756 193.2
[M+HCOO]- 684.89850 222.8
[M+CH3COO]- 698.91415 246.3
[M+Na-2H]- 660.87497 201.9
[M]+ 639.89975 201.2
[M]- 639.90085 201.2
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.