CID 763236

3268-75-5

Structural Information

Molecular Formula
C9H6Cl2N2OS
SMILES
C1=CC2=C(C=C1Cl)SC(=N2)NC(=O)CCl
InChI
InChI=1S/C9H6Cl2N2OS/c10-4-8(14)13-9-12-6-2-1-5(11)3-7(6)15-9/h1-3H,4H2,(H,12,13,14)
InChIKey
XUVJLNSGXUWBNT-UHFFFAOYSA-N
Compound name
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.9578 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.96508 150.2
[M+Na]+ 282.94702 162.3
[M-H]- 258.95052 154.1
[M+NH4]+ 277.99162 170.6
[M+K]+ 298.92096 156.2
[M+H-H2O]+ 242.95506 145.9
[M+HCOO]- 304.95600 161.0
[M+CH3COO]- 318.97165 163.4
[M+Na-2H]- 280.93247 153.6
[M]+ 259.95725 156.9
[M]- 259.95835 156.9
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