CID 13666713

67618-12-6

Structural Information

Molecular Formula

C₈H₇ClN₂OS

SMILES

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

InChI

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

InChIKey

CLFYPDRIWLKZOS-UHFFFAOYSA-N

Compound name

7-chloro-4-methoxy-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
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]+	215.004046	139.6
[M+Na]+	236.985988	152.9
[M-H]-	212.989494	144.1
[M+NH4]+	232.030593	161.8
[M+K]+	252.959928	147.9
[M+H-H2O]+	196.994030	135.1
[M+HCOO]-	258.994971	156.2
[M+CH3COO]-	273.010621	154.4
[M+Na-2H]-	234.971436	143.7
[M]+	213.99622142	145.9
[M]-	213.99731858	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe