CID 528190

1,8-diiodoperfluorooctane

Structural Information

Molecular Formula
C8F16I2
SMILES
C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)I)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26
InChIKey
SRDQTCUHAMDAMG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1628
Patents

653.7834 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.79068 174.9
[M+Na]+ 676.77262 245.8
[M-H]- 652.77612 244.2
[M+NH4]+ 671.81722 247.2
[M+K]+ 692.74656 178.8
[M+H-H2O]+ 636.78066 158.0
[M+HCOO]- 698.78160 256.2
[M+CH3COO]- 712.79725 240.4
[M+Na-2H]- 674.75807 164.4
[M]+ 653.78285 236.9
[M]- 653.78395 236.9
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