CID 11579778

4,4,5,5,6,6,7,7,7-nonafluoro-1-heptene

Structural Information

Molecular Formula
C7H5F9
SMILES
C=CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2H,1,3H2
InChIKey
TWLUKCCXOGLBOR-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

136
Patents

260.02475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03203 145.4
[M+Na]+ 283.01397 154.6
[M-H]- 259.01747 135.1
[M+NH4]+ 278.05857 161.6
[M+K]+ 298.98791 151.6
[M+H-H2O]+ 243.02201 134.8
[M+HCOO]- 305.02295 153.2
[M+CH3COO]- 319.03860 196.9
[M+Na-2H]- 280.99942 149.6
[M]+ 260.02420 131.7
[M]- 260.02530 131.7
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

patents stripe