CID 20111612

(2z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enal

Structural Information

Molecular Formula
C10H2F16O
SMILES
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)\C=O
InChI
InChI=1S/C10H2F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1-2H/b3-1-
InChIKey
LQERGGUGOIACQD-IWQZZHSRSA-N
Compound name
(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

441.98502 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.99230 157.8
[M+Na]+ 464.97424 165.4
[M-H]- 440.97774 163.9
[M+NH4]+ 460.01884 167.2
[M+K]+ 480.94818 171.4
[M+H-H2O]+ 424.98228 167.7
[M+HCOO]- 486.98322 177.8
[M+CH3COO]- 500.99887 227.8
[M+Na-2H]- 462.95969 183.8
[M]+ 441.98447 156.2
[M]- 441.98557 156.2
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.