CID 76545607

1,1,1,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-2-ene

Structural Information

Molecular Formula
C8H2F14
SMILES
C(=CC(F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F14/c9-3(10,1-2-4(11,12)13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H
InChIKey
JYJDYPJOQLXHAY-UHFFFAOYSA-N
Compound name
1,1,1,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

150
Patents

363.9933 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00058 167.1
[M+Na]+ 386.98252 176.9
[M-H]- 362.98602 152.4
[M+NH4]+ 382.02712 178.6
[M+K]+ 402.95646 172.9
[M+H-H2O]+ 346.99056 153.2
[M+HCOO]- 408.99150 166.6
[M+CH3COO]- 423.00715 214.6
[M+Na-2H]- 384.96797 169.7
[M]+ 363.99275 144.9
[M]- 363.99385 144.9
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