CID 330959

Nsc320865

Structural Information

Molecular Formula
C14H8Cl2N2OS
SMILES
C1=CC=C2C(=C1)NC3(S2)C4=C(C(=CC(=C4)Cl)Cl)NC3=O
InChI
InChI=1S/C14H8Cl2N2OS/c15-7-5-8-12(9(16)6-7)17-13(19)14(8)18-10-3-1-2-4-11(10)20-14/h1-6,18H,(H,17,19)
InChIKey
FVLZBGJGOWCWPJ-UHFFFAOYSA-N
Compound name
5,7-dichlorospiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.97345 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.98073 169.0
[M+Na]+ 344.96267 182.6
[M-H]- 320.96617 172.2
[M+NH4]+ 340.00727 189.9
[M+K]+ 360.93661 173.9
[M+H-H2O]+ 304.97071 165.0
[M+HCOO]- 366.97165 172.3
[M+CH3COO]- 380.98730 180.3
[M+Na-2H]- 342.94812 169.7
[M]+ 321.97290 171.4
[M]- 321.97400 171.4
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

No patent data available for this compound.