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]+ 243.005066 138.9
[M+Na]+ 264.987008 148.2
[M-H]- 240.990514 129.7
[M+NH4]+ 260.031613 155.9
[M+K]+ 280.960948 145.7
[M+H-H2O]+ 224.995050 128.9
[M+HCOO]- 286.995991 149.1
[M+CH3COO]- 301.011641 191.2
[M+Na-2H]- 262.972456 142.4
[M]+ 241.99724142 127.1
[M]- 241.99833858 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.