CID 23001927

1,1,1,2,2,3,3,4,4,6,6,8,8-tridecafluoro-8-iodooctane

Structural Information

Molecular Formula
C8H4F13I
SMILES
C(C(CC(F)(F)I)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F13I/c9-3(10,2-5(13,14)22)1-4(11,12)6(15,16)7(17,18)8(19,20)21/h1-2H2
InChIKey
SDVKQEYHUIMFIB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,6,6,8,8-tridecafluoro-8-iodooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

473.915 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.922276 173.0
[M+Na]+ 496.904218 175.8
[M-H]- 472.907724 154.0
[M+NH4]+ 491.948823 180.4
[M+K]+ 512.878158 177.7
[M+H-H2O]+ 456.912260 157.0
[M+HCOO]- 518.913201 169.8
[M+CH3COO]- 532.928851 222.5
[M+Na-2H]- 494.889666 165.4
[M]+ 473.91445142 152.2
[M]- 473.91554858 152.2
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