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]+	213.024776	140.5
[M+Na]+	235.006718	152.7
[M-H]-	211.010224	144.9
[M+NH4]+	230.051323	162.8
[M+K]+	250.980658	147.3
[M+H-H2O]+	195.014760	135.5
[M+HCOO]-	257.015701	157.1
[M+CH3COO]-	271.031351	154.9
[M+Na-2H]-	232.992166	145.6
[M]+	212.01695142	146.3
[M]-	212.01804858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe