CID 2282757

426215-90-9

Structural Information

Molecular Formula

C₁₅H₁₀BrNOS

SMILES

C1=CC(=CC=C1C2=NC(=CS2)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C15H10BrNOS/c16-12-5-1-10(2-6-12)14-9-19-15(17-14)11-3-7-13(18)8-4-11/h1-9,18H

InChIKey

IMTOUFRGGYTBEV-UHFFFAOYSA-N

Compound name

4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 330.96664 Da
Monoisotopic Mass: 4.6
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]+	331.97392	159.4
[M+Na]+	353.95586	173.1
[M-H]-	329.95936	170.4
[M+NH4]+	349.00046	178.1
[M+K]+	369.92980	159.8
[M+H-H2O]+	313.96390	159.5
[M+HCOO]-	375.96484	176.5
[M+CH3COO]-	389.98049	174.2
[M+Na-2H]-	351.94131	163.1
[M]+	330.96609	179.7
[M]-	330.96719	179.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe