CID 138395035

1-(difluoroiodo)perfluoro-1-octyne

Structural Information

Molecular Formula
C8F15I
SMILES
C(#CI(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F15I/c9-3(10,1-2-24(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21
InChIKey
MCRGIZNXLJZDQW-UHFFFAOYSA-N
Compound name
difluoro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ynyl)-lambda3-iodane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.88052 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.88780 169.2
[M+Na]+ 530.86974 169.3
[M+NH4]+ 525.91434 168.4
[M+K]+ 546.84368 168.5
[M-H]- 506.87324 165.8
[M+Na-2H]- 528.85519 167.9
[M]+ 507.87997 168.1
[M]- 507.88107 168.1
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

No patent data available for this compound.