CID 600753

126681-21-8

Structural Information

Molecular Formula
C8H2F13I
SMILES
C(=CI)C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H2F13I/c9-4(10,5(11,12)8(19,20)21)3(1-2-22,6(13,14)15)7(16,17)18/h1-2H
InChIKey
WSFZYWPCOFAVSE-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluoro-1-iodo-3,3-bis(trifluoromethyl)hex-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

471.89935 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.906626 170.9
[M+Na]+ 494.888568 174.2
[M-H]- 470.892074 152.1
[M+NH4]+ 489.933173 178.6
[M+K]+ 510.862508 175.7
[M+H-H2O]+ 454.896610 155.2
[M+HCOO]- 516.897551 168.0
[M+CH3COO]- 530.913201 219.8
[M+Na-2H]- 492.874016 163.5
[M]+ 471.89880142 149.4
[M]- 471.89989858 149.4
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.