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]+ 263.011306 144.0
[M+Na]+ 284.993248 153.6
[M-H]- 260.996754 133.8
[M+NH4]+ 280.037853 160.1
[M+K]+ 300.967188 151.2
[M+H-H2O]+ 245.001290 133.4
[M+HCOO]- 307.002231 152.3
[M+CH3COO]- 321.017881 195.8
[M+Na-2H]- 282.978696 148.9
[M]+ 262.00348142 131.3
[M]- 262.00457858 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.