CID 377059

Nsc658274

Structural Information

Molecular Formula
C17H8Cl2N2O2S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C17H8Cl2N2O2S/c18-8-5-6-11(19)12(7-8)20-17-21-13-14(22)9-3-1-2-4-10(9)15(23)16(13)24-17/h1-7H,(H,20,21)
InChIKey
FNCOTTXCSUMORN-UHFFFAOYSA-N
Compound name
2-(2,5-dichloroanilino)benzo[f][1,3]benzothiazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.96835 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.97563 181.5
[M+Na]+ 396.95757 194.6
[M-H]- 372.96107 189.2
[M+NH4]+ 392.00217 198.4
[M+K]+ 412.93151 186.5
[M+H-H2O]+ 356.96561 175.9
[M+HCOO]- 418.96655 189.6
[M+CH3COO]- 432.98220 193.0
[M+Na-2H]- 394.94302 183.2
[M]+ 373.96780 188.3
[M]- 373.96890 188.3
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.