CID 88054

19430-93-4

Structural Information

Molecular Formula
C6H3F9
SMILES
C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKey
GVEUEBXMTMZVSD-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

8942
Patents

246.00911 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01639 140.7
[M+Na]+ 268.99833 150.3
[M-H]- 245.00183 130.5
[M+NH4]+ 264.04293 157.4
[M+K]+ 284.97227 147.5
[M+H-H2O]+ 229.00637 130.3
[M+HCOO]- 291.00731 148.7
[M+CH3COO]- 305.02296 194.0
[M+Na-2H]- 266.98378 145.4
[M]+ 246.00856 126.6
[M]- 246.00966 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe