CID 155820209

1314011-84-1

Structural Information

Molecular Formula

C₁₆H₁₄FNO₂S

SMILES

CC(C)(C1=C(C=CC=C1F)OC2=CN=C3C(=C2)C=CS3)O

InChI

InChI=1S/C16H14FNO2S/c1-16(2,19)14-12(17)4-3-5-13(14)20-11-8-10-6-7-21-15(10)18-9-11/h3-9,19H,1-2H3

InChIKey

JRTOHCVMUAVEEP-UHFFFAOYSA-N

Compound name

2-(2-fluoro-6-thieno[2,3-b]pyridin-5-yloxyphenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.07294 Da
Monoisotopic Mass: 3.5
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]+	304.080216	167.4
[M+Na]+	326.062158	178.7
[M-H]-	302.065664	172.5
[M+NH4]+	321.106763	184.5
[M+K]+	342.036098	173.1
[M+H-H2O]+	286.070200	160.2
[M+HCOO]-	348.071141	183.3
[M+CH3COO]-	362.086791	179.6
[M+Na-2H]-	324.047606	170.8
[M]+	303.07239142	172.0
[M]-	303.07348858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.