CID 50988845

1258650-40-6

Structural Information

Molecular Formula
C13H10ClNOS
SMILES
C1CC2=C(C(=O)C1)SC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H10ClNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2
InChIKey
XXCCTQYLMPIBBY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01715 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02443 155.8
[M+Na]+ 286.00637 166.6
[M-H]- 262.00987 162.7
[M+NH4]+ 281.05097 175.9
[M+K]+ 301.98031 160.5
[M+H-H2O]+ 246.01441 150.0
[M+HCOO]- 308.01535 167.9
[M+CH3COO]- 322.03100 168.7
[M+Na-2H]- 283.99182 157.2
[M]+ 263.01660 158.3
[M]- 263.01770 158.3
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.