CID 699152

5-chloro-n-ethyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula

C₉H₉ClN₂S

SMILES

CCNC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C9H9ClN2S/c1-2-11-9-12-7-5-6(10)3-4-8(7)13-9/h3-5H,2H2,1H3,(H,11,12)

InChIKey

RWENKNLXLIFVIP-UHFFFAOYSA-N

Compound name

5-chloro-N-ethyl-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.0175 Da
Monoisotopic Mass: 3.7
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]+	213.02478	141.1
[M+Na]+	235.00672	155.5
[M+NH4]+	230.05132	151.6
[M+K]+	250.98066	146.9
[M-H]-	211.01022	144.7
[M+Na-2H]-	232.99217	148.3
[M]+	212.01695	145.0
[M]-	212.01805	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe