CID 54481349

3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene

Structural Information

Molecular Formula
C7H3F11
SMILES
C=CC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F11/c1-2-3(8,9)5(11,12)4(10,6(13,14)15)7(16,17)18/h2H,1H2
InChIKey
XPEYWJSDSRRHBK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

296.00592 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.01320 151.7
[M+Na]+ 318.99514 161.4
[M-H]- 294.99864 139.6
[M+NH4]+ 314.03974 166.2
[M+K]+ 334.96908 158.1
[M+H-H2O]+ 279.00318 139.9
[M+HCOO]- 341.00412 155.8
[M+CH3COO]- 355.01977 202.9
[M+Na-2H]- 316.98059 155.6
[M]+ 296.00537 134.2
[M]- 296.00647 134.2
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