CID 15050561

Ns00132928

Structural Information

Molecular Formula

C₇H₅ClN₂OS

SMILES

C1=C2C(=CC(=C1O)Cl)SC(=N2)N

InChI

InChI=1S/C7H5ClN2OS/c8-3-1-6-4(2-5(3)11)10-7(9)12-6/h1-2,11H,(H2,9,10)

InChIKey

HNROPKDJNPVKJX-UHFFFAOYSA-N

Compound name

2-amino-6-chloro-1,3-benzothiazol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.98111 Da
Monoisotopic Mass: 2.3
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]+	200.988386	135.0
[M+Na]+	222.970328	148.3
[M-H]-	198.973834	138.2
[M+NH4]+	218.014933	157.0
[M+K]+	238.944268	142.6
[M+H-H2O]+	182.978370	131.0
[M+HCOO]-	244.979311	150.4
[M+CH3COO]-	258.994961	149.5
[M+Na-2H]-	220.955776	139.3
[M]+	199.98056142	139.1
[M]-	199.98165858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.