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

1
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

patents stripe