CID 15392524

204201-52-5

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

C1=CC(=CC=C1C(CO)CO)F

InChI

InChI=1S/C9H11FO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8,11-12H,5-6H2

InChIKey

PFYTWIIZQFTTOS-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 170.07431 Da
Monoisotopic Mass: 0.7
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]+	171.08159	134.0
[M+Na]+	193.06353	141.2
[M-H]-	169.06703	133.7
[M+NH4]+	188.10813	153.1
[M+K]+	209.03747	138.6
[M+H-H2O]+	153.07157	128.0
[M+HCOO]-	215.07251	154.0
[M+CH3COO]-	229.08816	174.8
[M+Na-2H]-	191.04898	138.7
[M]+	170.07376	131.6
[M]-	170.07486	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe