CID 16211352

882186-02-9

Structural Information

Molecular Formula
C20H14F17IO4
SMILES
CC(=O)OI(C1=CC=C(C=C1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C
InChI
InChI=1S/C20H14F17IO4/c1-9(39)41-38(42-10(2)40)12-5-3-11(4-6-12)7-8-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h3-6H,7-8H2,1-2H3
InChIKey
YHQLCCOIFRKRJC-UHFFFAOYSA-N
Compound name
[acetyloxy-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-lambda3-iodanyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

767.96655 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.97383 164.4
[M+Na]+ 790.95577 164.3
[M+NH4]+ 786.00037 164.1
[M+K]+ 806.92971 164.6
[M-H]- 766.95927 163.0
[M+Na-2H]- 788.94122 164.3
[M]+ 767.96600 163.9
[M]- 767.96710 163.9
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.