CID 511621

650635-70-4

Structural Information

Molecular Formula
C15H10ClNO2S2
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)SC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO2S2/c1-7-12(18)11-15(20-8(2)17-11)13(19)14(7)21-10-5-3-9(16)4-6-10/h3-6H,1-2H3
InChIKey
AZRFRITZSGOYCI-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)sulfanyl-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.98416 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.99144 171.3
[M+Na]+ 357.97338 184.6
[M-H]- 333.97688 178.9
[M+NH4]+ 353.01798 189.4
[M+K]+ 373.94732 177.1
[M+H-H2O]+ 317.98142 166.7
[M+HCOO]- 379.98236 179.1
[M+CH3COO]- 393.99801 183.7
[M+Na-2H]- 355.95883 169.5
[M]+ 334.98361 178.8
[M]- 334.98471 178.8
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.