CID 5289746

(3z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-hexadecafluoroundec-3-en-2-one

Structural Information

Molecular Formula
C11H4F16O
SMILES
CC(=O)/C=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F
InChI
InChI=1S/C11H4F16O/c1-3(28)2-4(12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)27/h2H,1H3/b4-2-
InChIKey
FGWAKQKTCXBUER-RQOWECAXSA-N
Compound name
(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-hexadecafluoroundec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

456.00067 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.00795 164.0
[M+Na]+ 478.98989 171.9
[M-H]- 454.99339 171.2
[M+NH4]+ 474.03449 174.7
[M+K]+ 494.96383 178.6
[M+H-H2O]+ 438.99793 156.1
[M+HCOO]- 500.99887 181.6
[M+CH3COO]- 515.01452 231.0
[M+Na-2H]- 476.97534 164.3
[M]+ 456.00012 162.3
[M]- 456.00122 162.3
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

No patent data available for this compound.