CID 3019663

84100-12-9

Structural Information

Molecular Formula
C8H5F9
SMILES
C=CCC(=C(C(C(F)(F)F)(F)F)F)C(F)(F)F
InChI
InChI=1S/C8H5F9/c1-2-3-4(7(12,13)14)5(9)6(10,11)8(15,16)17/h2H,1,3H2
InChIKey
OMUNRUKWZBLGRN-UHFFFAOYSA-N
Compound name
5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

272.02475 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03203 147.4
[M+Na]+ 295.01397 155.9
[M-H]- 271.01747 136.8
[M+NH4]+ 290.05857 163.2
[M+K]+ 310.98791 152.5
[M+H-H2O]+ 255.02201 136.5
[M+HCOO]- 317.02295 154.8
[M+CH3COO]- 331.03860 198.3
[M+Na-2H]- 292.99942 148.1
[M]+ 272.02420 132.8
[M]- 272.02530 132.8
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.