CID 138396278

1,1,1,2,2,3,3-heptafluorooct-4-ene

Structural Information

Molecular Formula
C8H9F7
SMILES
CCCC=CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F7/c1-2-3-4-5-6(9,10)7(11,12)8(13,14)15/h4-5H,2-3H2,1H3
InChIKey
LGAFWMLLIBBCRX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluorooct-4-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.05925 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.066526 144.7
[M+Na]+ 261.048468 153.1
[M-H]- 237.051974 136.2
[M+NH4]+ 256.093073 162.2
[M+K]+ 277.022408 150.2
[M+H-H2O]+ 221.056510 135.2
[M+HCOO]- 283.057451 155.8
[M+CH3COO]- 297.073101 192.5
[M+Na-2H]- 259.033916 148.7
[M]+ 238.05870142 134.9
[M]- 238.05979858 134.9
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.