CID 2776309

8h-perfluorooctyl iodide

Structural Information

Molecular Formula
C8HF16I
SMILES
C(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF16I/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
InChIKey
YGSSMEJGAVBONC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1-iodooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

527.8868 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.89408 180.0
[M+Na]+ 550.87602 183.3
[M-H]- 526.87952 159.4
[M+NH4]+ 545.92062 199.0
[M+K]+ 566.84996 185.0
[M+H-H2O]+ 510.88406 162.8
[M+HCOO]- 572.88500 208.2
[M+CH3COO]- 586.90065 231.8
[M+Na-2H]- 548.86147 171.5
[M]+ 527.88625 154.2
[M]- 527.88735 154.2
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

patents stripe