CID 86160900

2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene

Structural Information

Molecular Formula
C6H2ClF9
SMILES
C=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C6H2ClF9/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)16/h1H2
InChIKey
CVDYYPTVATXTLA-UHFFFAOYSA-N
Compound name
2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

279.97012 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97740 142.0
[M+Na]+ 302.95934 152.2
[M-H]- 278.96284 132.0
[M+NH4]+ 298.00394 158.3
[M+K]+ 318.93328 147.7
[M+H-H2O]+ 262.96738 132.4
[M+HCOO]- 324.96832 145.1
[M+CH3COO]- 338.98397 198.3
[M+Na-2H]- 300.94479 145.7
[M]+ 279.96957 129.5
[M]- 279.97067 129.5
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