CID 9619

Dodecanol, 12-fluoro-

Structural Information

Molecular Formula

C₁₂H₂₅FO

SMILES

C(CCCCCCF)CCCCCO

InChI

InChI=1S/C12H25FO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2

InChIKey

DRHUCRLKSMPHDB-UHFFFAOYSA-N

Compound name

12-fluorododecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 204.18895 Da
Monoisotopic Mass: 5.1
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]+	205.19623	152.4
[M+Na]+	227.17817	156.7
[M-H]-	203.18167	148.7
[M+NH4]+	222.22277	171.0
[M+K]+	243.15211	154.1
[M+H-H2O]+	187.18621	146.1
[M+HCOO]-	249.18715	171.9
[M+CH3COO]-	263.20280	187.4
[M+Na-2H]-	225.16362	155.2
[M]+	204.18840	154.3
[M]-	204.18950	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe