CID 9760

1-fluorohexane

Structural Information

Molecular Formula

C₆H₁₃F

SMILES

CCCCCCF

InChI

InChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3

InChIKey

OFERIJCSHDJMSA-UHFFFAOYSA-N

Compound name

1-fluorohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 4219
Patents: 104.10013 Da
Monoisotopic Mass: 3.4
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]+	105.10741	121.7
[M+Na]+	127.08935	132.3
[M+NH4]+	122.13395	130.3
[M+K]+	143.06329	125.4
[M-H]-	103.09285	120.9
[M+Na-2H]-	125.07480	126.2
[M]+	104.09958	122.8
[M]-	104.10068	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe