CID 146171041

(z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal

Structural Information

Molecular Formula
C6H2F8O
SMILES
C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O
InChI
InChI=1S/C6H2F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1-2H/b3-1-
InChIKey
HFHWKEZNQKNBEL-IWQZZHSRSA-N
Compound name
(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

241.99779 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00507 138.9
[M+Na]+ 264.98701 148.2
[M-H]- 240.99051 129.7
[M+NH4]+ 260.03161 155.9
[M+K]+ 280.96095 145.7
[M+H-H2O]+ 224.99505 128.9
[M+HCOO]- 286.99599 149.1
[M+CH3COO]- 301.01164 191.2
[M+Na-2H]- 262.97246 142.4
[M]+ 241.99724 127.1
[M]- 241.99834 127.1
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

No patent data available for this compound.