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
2
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 163.1
[M+Na]+ 530.86974 166.4
[M-H]- 506.87324 143.5
[M+NH4]+ 525.91434 167.9
[M+K]+ 546.84368 168.9
[M+H-H2O]+ 490.87778 142.3
[M+HCOO]- 552.87872 155.8
[M+CH3COO]- 566.89437 229.1
[M+Na-2H]- 528.85519 154.7
[M]+ 507.87997 136.1
[M]- 507.88107 136.1
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.