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]+ 239.06653 144.7
[M+Na]+ 261.04847 153.1
[M-H]- 237.05197 136.2
[M+NH4]+ 256.09307 162.2
[M+K]+ 277.02241 150.2
[M+H-H2O]+ 221.05651 135.2
[M+HCOO]- 283.05745 155.8
[M+CH3COO]- 297.07310 192.5
[M+Na-2H]- 259.03392 148.7
[M]+ 238.05870 134.9
[M]- 238.05980 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.