CID 919029

3427-30-3

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂S

SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl

InChI

InChI=1S/C10H9ClN2O2S/c1-15-6-2-3-7-8(4-6)16-10(12-7)13-9(14)5-11/h2-4H,5H2,1H3,(H,12,13,14)

InChIKey

OYGSDMFSKFBVOM-UHFFFAOYSA-N

Compound name

2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 256.00732 Da
Monoisotopic Mass: 2.5
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]+	257.01460	152.0
[M+Na]+	278.99654	164.8
[M+NH4]+	274.04114	160.8
[M+K]+	294.97048	157.8
[M-H]-	255.00004	154.0
[M+Na-2H]-	276.98199	157.6
[M]+	256.00677	155.1
[M]-	256.00787	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe