CID 945354

74821-70-8

Structural Information

Molecular Formula

C₈H₇ClN₂OS

SMILES

COC1=C(C=C2C(=C1)SC(=N2)N)Cl

InChI

InChI=1S/C8H7ClN2OS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11)

InChIKey

WSLXLABOEWJWJL-UHFFFAOYSA-N

Compound name

5-chloro-6-methoxy-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 213.99677 Da
Monoisotopic Mass: 2.6
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]+	215.00405	140.2
[M+Na]+	236.98599	154.4
[M+NH4]+	232.03059	150.2
[M+K]+	252.95993	147.0
[M-H]-	212.98949	143.2
[M+Na-2H]-	234.97144	146.5
[M]+	213.99622	143.9
[M]-	213.99732	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe