CID 67704

5-fluoropentanal

Structural Information

Molecular Formula
C5H9FO
SMILES
C(CCF)CC=O
InChI
InChI=1S/C5H9FO/c6-4-2-1-3-5-7/h5H,1-4H2
InChIKey
PPKGSIILGIXOBS-UHFFFAOYSA-N
Compound name
5-fluoropentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

104.06374 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.071016 117.7
[M+Na]+ 127.052958 125.6
[M-H]- 103.056464 116.8
[M+NH4]+ 122.097563 140.9
[M+K]+ 143.026898 125.3
[M+H-H2O]+ 87.061000 112.7
[M+HCOO]- 149.061941 141.2
[M+CH3COO]- 163.077591 168.1
[M+Na-2H]- 125.038406 124.9
[M]+ 104.06319142 118.2
[M]- 104.06428858 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe