CID 511637

650635-86-2

Structural Information

Molecular Formula
C15H10Cl2N2O2S
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(S2)C)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O2S/c1-6-11(19-8-3-4-9(16)10(17)5-8)14(21)15-12(13(6)20)18-7(2)22-15/h3-5,19H,1-2H3
InChIKey
RBHLZVPYBHLLJW-UHFFFAOYSA-N
Compound name
6-(3,4-dichloroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.984 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.99128 177.2
[M+Na]+ 374.97322 190.5
[M-H]- 350.97672 184.6
[M+NH4]+ 370.01782 194.5
[M+K]+ 390.94716 183.0
[M+H-H2O]+ 334.98126 172.3
[M+HCOO]- 396.98220 186.0
[M+CH3COO]- 410.99785 189.3
[M+Na-2H]- 372.95867 176.0
[M]+ 351.98345 184.5
[M]- 351.98455 184.5
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.