CID 959639

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

Structural Information

Molecular Formula
C9H7ClN2OS
SMILES
CC(=O)NC1=NC2=C(S1)C=C(C=C2)Cl
InChI
InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChIKey
BCQXILHHRAEBLY-UHFFFAOYSA-N
Compound name
N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

225.99677 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00405 144.4
[M+Na]+ 248.98599 158.0
[M+NH4]+ 244.03059 153.9
[M+K]+ 264.95993 150.6
[M-H]- 224.98949 147.0
[M+Na-2H]- 246.97144 150.7
[M]+ 225.99622 147.8
[M]- 225.99732 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe