CID 10422795

3,3,4,4,5,5,6,6,6-nonafluorohexanal

Structural Information

Molecular Formula
C6H3F9O
SMILES
C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKey
PLXBWBKXCKSJRL-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

262.00403 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.01131 144.0
[M+Na]+ 284.99325 153.6
[M-H]- 260.99675 133.8
[M+NH4]+ 280.03785 160.1
[M+K]+ 300.96719 151.2
[M+H-H2O]+ 245.00129 133.4
[M+HCOO]- 307.00223 152.3
[M+CH3COO]- 321.01788 195.8
[M+Na-2H]- 282.97870 148.9
[M]+ 262.00348 131.3
[M]- 262.00458 131.3
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.