CID 23080700

Perfluorohexanal

Structural Information

Molecular Formula
C6HF11O
SMILES
C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H
InChIKey
OMBYOPNOROKVEG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

149
Patents

297.98517 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.992446 150.2
[M+Na]+ 320.974388 160.1
[M-H]- 296.977894 138.1
[M+NH4]+ 316.018993 164.4
[M+K]+ 336.948328 157.5
[M+H-H2O]+ 280.982430 138.4
[M+HCOO]- 342.983371 154.8
[M+CH3COO]- 356.999021 202.5
[M+Na-2H]- 318.959836 154.8
[M]+ 297.98462142 133.8
[M]- 297.98571858 133.8
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

patents stripe