CID 15828065

203929-12-8

Structural Information

Molecular Formula
C6H3F8I
SMILES
C=CC(C(C(C(F)(F)I)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F8I/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKey
QZXYRRIBHBIXQN-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

353.91516 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.92244 148.0
[M+Na]+ 376.90438 150.5
[M-H]- 352.90788 133.1
[M+NH4]+ 371.94898 160.2
[M+K]+ 392.87832 153.4
[M+H-H2O]+ 336.91242 135.3
[M+HCOO]- 398.91336 152.9
[M+CH3COO]- 412.92901 201.9
[M+Na-2H]- 374.88983 141.5
[M]+ 353.91461 134.1
[M]- 353.91571 134.1
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

patents stripe