CID 11603

1-fluoropentane

Structural Information

Molecular Formula

C₅H₁₁F

SMILES

CCCCCF

InChI

InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3

InChIKey

OEPRBXUJOQLYID-UHFFFAOYSA-N

Compound name

1-fluoropentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 12109
Patents: 90.08448 Da
Monoisotopic Mass: 2.3
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]+	91.091756	116.1
[M+Na]+	113.07370	123.7
[M-H]-	89.077204	115.2
[M+NH4]+	108.11830	140.0
[M+K]+	129.04764	123.6
[M+H-H2O]+	73.081740	111.3
[M+HCOO]-	135.08268	139.1
[M+CH3COO]-	149.09833	167.2
[M+Na-2H]-	111.05915	123.4
[M]+	90.083931	115.8
[M]-	90.085029	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe