CID 3034197

7341-89-1

Structural Information

Molecular Formula
C13H9ClN2O2S3
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)SC(=S)N3)Cl
InChI
InChI=1S/C13H9ClN2O2S3/c14-8-1-3-9(4-2-8)16-21(17,18)10-5-6-12-11(7-10)15-13(19)20-12/h1-7,16H,(H,15,19)
InChIKey
ATOUOYOWYYYGBS-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

355.95148 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.95876 175.3
[M+Na]+ 378.94070 188.0
[M-H]- 354.94420 180.6
[M+NH4]+ 373.98530 190.7
[M+K]+ 394.91464 177.7
[M+H-H2O]+ 338.94874 171.3
[M+HCOO]- 400.94968 179.1
[M+CH3COO]- 414.96533 185.8
[M+Na-2H]- 376.92615 178.9
[M]+ 355.95093 179.3
[M]- 355.95203 179.3
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

patents stripe