CID 21290713

109544-13-0

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

C1=CC(=CC=C1C2=NC=C(O2)CO)Cl

InChI

InChI=1S/C10H8ClNO2/c11-8-3-1-7(2-4-8)10-12-5-9(6-13)14-10/h1-5,13H,6H2

InChIKey

NZXIFVVJVOJYDC-UHFFFAOYSA-N

Compound name

[2-(4-chlorophenyl)-1,3-oxazol-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 209.02435 Da
Monoisotopic Mass: 1.8
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]+	210.03163	140.8
[M+Na]+	232.01357	155.8
[M+NH4]+	227.05817	149.6
[M+K]+	247.98751	150.7
[M-H]-	208.01707	145.1
[M+Na-2H]-	229.99902	148.8
[M]+	209.02380	144.5
[M]-	209.02490	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe