CID 46242928

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooct-1-yne

Structural Information

Molecular Formula
C8F13I
SMILES
C(#CI)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21
InChIKey
JWOJAGFUNODSPU-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooct-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.8837 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.89098 177.9
[M+Na]+ 492.87292 178.0
[M+NH4]+ 487.91752 176.5
[M+K]+ 508.84686 176.1
[M-H]- 468.87642 172.1
[M+Na-2H]- 490.85837 174.9
[M]+ 469.88315 176.0
[M]- 469.88425 176.0
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

No patent data available for this compound.