CID 9755

4-fluoro-1-butanol

Structural Information

Molecular Formula
C4H9FO
SMILES
C(CCF)CO
InChI
InChI=1S/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey
SHOBGSRUFRALBO-UHFFFAOYSA-N
Compound name
4-fluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4266
Patents

92.06374 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.071016 115.5
[M+Na]+ 115.05296 123.1
[M-H]- 91.056464 113.3
[M+NH4]+ 110.09756 138.6
[M+K]+ 131.02690 122.7
[M+H-H2O]+ 75.061000 110.8
[M+HCOO]- 137.06194 137.6
[M+CH3COO]- 151.07759 163.2
[M+Na-2H]- 113.03841 122.7
[M]+ 92.063191 114.4
[M]- 92.064289 114.4
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