CID 4596794

(2-(benzo[d]thiazol-2-yl)phenyl)methanol

Structural Information

Molecular Formula

C₁₄H₁₁NOS

SMILES

C1=CC=C(C(=C1)CO)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11NOS/c16-9-10-5-1-2-6-11(10)14-15-12-7-3-4-8-13(12)17-14/h1-8,16H,9H2

InChIKey

KZYPVFOGJLWMGU-UHFFFAOYSA-N

Compound name

[2-(1,3-benzothiazol-2-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 241.05614 Da
Monoisotopic Mass: 3.4
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]+	242.063416	150.3
[M+Na]+	264.045358	161.6
[M-H]-	240.048864	156.6
[M+NH4]+	259.089963	169.8
[M+K]+	280.019298	155.8
[M+H-H2O]+	224.053400	144.0
[M+HCOO]-	286.054341	169.5
[M+CH3COO]-	300.069991	163.9
[M+Na-2H]-	262.030806	155.0
[M]+	241.05559142	153.9
[M]-	241.05668858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe