CID 9755

4-fluoro-1-butanol

Structural Information

Molecular Formula

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: 2398
Patents: 92.06374 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	93.071016	116.1
[M+Na]+	115.05296	126.1
[M+NH4]+	110.09756	124.1
[M+K]+	131.02690	120.5
[M-H]-	91.056464	114.3
[M+Na-2H]-	113.03841	120.0
[M]+	92.063191	116.7
[M]-	92.064289	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe