CID 510598

3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C13H10ClNO2S
SMILES
C1=CC=C2C(=C1)C(NS2(=O)=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C13H10ClNO2S/c14-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)18(16,17)15-13/h1-8,13,15H
InChIKey
QMAGHQNHLWPMSP-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0121 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.01938 157.3
[M+Na]+ 302.00132 169.7
[M-H]- 278.00482 163.5
[M+NH4]+ 297.04592 178.0
[M+K]+ 317.97526 162.6
[M+H-H2O]+ 262.00936 152.3
[M+HCOO]- 324.01030 169.8
[M+CH3COO]- 338.02595 170.3
[M+Na-2H]- 299.98677 160.9
[M]+ 279.01155 160.6
[M]- 279.01265 160.6
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.