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

245
Patents

104.06374 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.07102 117.7
[M+Na]+ 127.05296 125.6
[M-H]- 103.05646 116.8
[M+NH4]+ 122.09756 140.9
[M+K]+ 143.02690 125.3
[M+H-H2O]+ 87.061000 112.7
[M+HCOO]- 149.06194 141.2
[M+CH3COO]- 163.07759 168.1
[M+Na-2H]- 125.03841 124.9
[M]+ 104.06319 118.2
[M]- 104.06429 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