CID 138396277

5,5,6,6,7,7,7-heptafluorohept-3-ene

Structural Information

Molecular Formula
C7H7F7
SMILES
CCC=CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F7/c1-2-3-4-5(8,9)6(10,11)7(12,13)14/h3-4H,2H2,1H3
InChIKey
OJGIFDMSTFVZSM-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,7-heptafluorohept-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

224.0436 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05088 139.9
[M+Na]+ 247.03282 148.7
[M-H]- 223.03632 131.7
[M+NH4]+ 242.07742 158.0
[M+K]+ 263.00676 146.0
[M+H-H2O]+ 207.04086 130.6
[M+HCOO]- 269.04180 151.4
[M+CH3COO]- 283.05745 189.5
[M+Na-2H]- 245.01827 144.4
[M]+ 224.04305 129.7
[M]- 224.04415 129.7
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.