CID 39242197

885280-13-7

Structural Information

Molecular Formula

C₁₀H₈FNOS

SMILES

C1=CC(=CC=C1C2=NC(=CS2)CO)F

InChI

InChI=1S/C10H8FNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2

InChIKey

QTKNJWCGPSLBSS-UHFFFAOYSA-N

Compound name

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 209.03107 Da
Monoisotopic Mass: 1.9
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]+	210.03835	142.8
[M+Na]+	232.02029	155.4
[M+NH4]+	227.06489	151.5
[M+K]+	247.99423	148.3
[M-H]-	208.02379	144.9
[M+Na-2H]-	230.00574	149.8
[M]+	209.03052	145.6
[M]-	209.03162	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe