CID 17297033

51482-98-5

Structural Information

Molecular Formula

C₈H₇ClN₂OS

SMILES

COC1=CC2=C(C(=C1)Cl)N=C(S2)N

InChI

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

InChIKey

YJUOEUURDAGAQM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 213.99677 Da
Monoisotopic Mass: 2.7
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]+	215.00405	139.6
[M+Na]+	236.98599	152.9
[M-H]-	212.98949	144.1
[M+NH4]+	232.03059	161.8
[M+K]+	252.95993	147.9
[M+H-H2O]+	196.99403	135.1
[M+HCOO]-	258.99497	156.2
[M+CH3COO]-	273.01062	154.4
[M+Na-2H]-	234.97144	143.7
[M]+	213.99622	145.9
[M]-	213.99732	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe