CID 101677

463-08-1

Structural Information

Molecular Formula

C₁₁H₂₃FO₂

SMILES

C(CCCCC(CO)O)CCCCF

InChI

InChI=1S/C11H23FO2/c12-9-7-5-3-1-2-4-6-8-11(14)10-13/h11,13-14H,1-10H2

InChIKey

IUOUAYYDTPIAIZ-UHFFFAOYSA-N

Compound name

11-fluoroundecane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.16821 Da
Monoisotopic Mass: 2.9
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]+	207.17549	152.2
[M+Na]+	229.15743	156.2
[M-H]-	205.16093	147.2
[M+NH4]+	224.20203	169.8
[M+K]+	245.13137	153.8
[M+H-H2O]+	189.16547	146.0
[M+HCOO]-	251.16641	169.7
[M+CH3COO]-	265.18206	184.4
[M+Na-2H]-	227.14288	153.6
[M]+	206.16766	152.5
[M]-	206.16876	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.