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]+ 442.992296 157.8
[M+Na]+ 464.974238 165.4
[M-H]- 440.977744 163.9
[M+NH4]+ 460.018843 167.2
[M+K]+ 480.948178 171.4
[M+H-H2O]+ 424.982280 167.7
[M+HCOO]- 486.983221 177.8
[M+CH3COO]- 500.998871 227.8
[M+Na-2H]- 462.959686 183.8
[M]+ 441.98447142 156.2
[M]- 441.98556858 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.