CID 21985811

401567-29-1

Structural Information

Molecular Formula

C₁₀H₁₀ClNOS

SMILES

CC(C)OC1=CC2=C(C=C1)N=C(S2)Cl

InChI

InChI=1S/C10H10ClNOS/c1-6(2)13-7-3-4-8-9(5-7)14-10(11)12-8/h3-6H,1-2H3

InChIKey

VDXJKIZWLVTCGY-UHFFFAOYSA-N

Compound name

2-chloro-6-propan-2-yloxy-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 227.01717 Da
Monoisotopic Mass: 4.5
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]+	228.02445	144.6
[M+Na]+	250.00639	156.8
[M-H]-	226.00989	149.2
[M+NH4]+	245.05099	166.6
[M+K]+	265.98033	152.4
[M+H-H2O]+	210.01443	139.9
[M+HCOO]-	272.01537	159.2
[M+CH3COO]-	286.03102	158.9
[M+Na-2H]-	247.99184	147.7
[M]+	227.01662	152.4
[M]-	227.01772	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe