CID 118452981

Refchem:485160

Structural Information

Molecular Formula
C5H3F6I
SMILES
C=CC(C(C(F)(F)I)(F)F)(F)F
InChI
InChI=1S/C5H3F6I/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2
InChIKey
PHHATTKTNVYZJD-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5-hexafluoro-5-iodopent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

303.91837 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.92565 138.6
[M+Na]+ 326.90759 140.9
[M-H]- 302.91109 125.7
[M+NH4]+ 321.95219 152.9
[M+K]+ 342.88153 144.5
[M+H-H2O]+ 286.91563 127.2
[M+HCOO]- 348.91657 147.2
[M+CH3COO]- 362.93222 193.0
[M+Na-2H]- 324.89304 132.6
[M]+ 303.91782 127.6
[M]- 303.91892 127.6
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

patents stripe