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 153.5
[M+Na]+ 277.01728 163.8
[M-H]- 253.02078 158.9
[M+NH4]+ 272.06188 174.2
[M+K]+ 292.99122 159.8
[M+H-H2O]+ 237.02532 147.6
[M+HCOO]- 299.02626 169.3
[M+CH3COO]- 313.04191 195.3
[M+Na-2H]- 275.00273 156.6
[M]+ 254.02751 161.0
[M]- 254.02861 161.0
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.