CID 2775057

105774-97-8

Structural Information

Molecular Formula
C5F9I
SMILES
C(=C(\F)/I)(\C(C(F)(F)F)(C(F)(F)F)F)/F
InChI
InChI=1S/C5F9I/c6-1(2(7)15)3(8,4(9,10)11)5(12,13)14/b2-1-
InChIKey
KVLZYXPNBHIUMY-UPHRSURJSA-N
Compound name
(Z)-1,2,3,4,4,4-hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.8901 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.89738 143.1
[M+Na]+ 380.87932 145.6
[M-H]- 356.88282 127.2
[M+NH4]+ 375.92392 155.2
[M+K]+ 396.85326 148.8
[M+H-H2O]+ 340.88736 129.5
[M+HCOO]- 402.88830 147.2
[M+CH3COO]- 416.90395 201.0
[M+Na-2H]- 378.86477 133.9
[M]+ 357.88955 126.9
[M]- 357.89065 126.9
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.