CID 4962101

852399-70-3

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
CCN(C1=NC2=CC=CC=C2S1)C(=O)CCl
InChI
InChI=1S/C11H11ClN2OS/c1-2-14(10(15)7-12)11-13-8-5-3-4-6-9(8)16-11/h3-6H,2,7H2,1H3
InChIKey
XHZMFHWLTWEYOK-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 152.9
[M+Na]+ 277.01728 165.8
[M+NH4]+ 272.06188 162.3
[M+K]+ 292.99122 158.4
[M-H]- 253.02078 155.6
[M+Na-2H]- 275.00273 159.2
[M]+ 254.02751 156.2
[M]- 254.02861 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.