CID 14816571

4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene

Structural Information

Molecular Formula
C7H3F9
SMILES
C=C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h3H,1H2
InChIKey
JRCPJQVQFTXUSS-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluorohepta-1,2-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

258.0091 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01638 143.8
[M+Na]+ 280.99832 153.4
[M-H]- 257.00182 133.6
[M+NH4]+ 276.04292 160.1
[M+K]+ 296.97226 149.8
[M+H-H2O]+ 241.00636 133.4
[M+HCOO]- 303.00730 151.8
[M+CH3COO]- 317.02295 195.2
[M+Na-2H]- 278.98377 148.1
[M]+ 258.00855 129.4
[M]- 258.00965 129.4
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.