CID 14117409

3-fluorobutan-1-ol

Structural Information

Molecular Formula
C4H9FO
SMILES
CC(CCO)F
InChI
InChI=1S/C4H9FO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3
InChIKey
YSAZHINBXCWZTE-UHFFFAOYSA-N
Compound name
3-fluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

316
Patents

92.06374 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.071016 116.0
[M+Na]+ 115.052958 123.4
[M-H]- 91.056464 113.9
[M+NH4]+ 110.097563 139.0
[M+K]+ 131.026898 123.4
[M+H-H2O]+ 75.061000 111.4
[M+HCOO]- 137.061941 137.1
[M+CH3COO]- 151.077591 164.0
[M+Na-2H]- 113.038406 121.9
[M]+ 92.06319142 114.2
[M]- 92.06428858 114.2
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