CID 67920

Perfluorodecyl iodide

Structural Information

Molecular Formula
C10F21I
SMILES
C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10F21I/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
InChIKey
UDWBMXSQHOHKOI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-iododecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

531
Patents

645.8709 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.87818 203.6
[M+Na]+ 668.86012 208.7
[M-H]- 644.86362 210.9
[M+NH4]+ 663.90472 213.2
[M+K]+ 684.83406 218.9
[M+H-H2O]+ 628.86816 192.0
[M+HCOO]- 690.86910 222.1
[M+CH3COO]- 704.88475 247.7
[M+Na-2H]- 666.84557 202.6
[M]+ 645.87035 200.8
[M]- 645.87145 200.8
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