CID 384661

Nsc674706

Structural Information

Molecular Formula
C15H12ClNO2S2
SMILES
C1=CC=C(C=C1)C(CS(=O)(=O)C2=NC3=CC=CC=C3S2)Cl
InChI
InChI=1S/C15H12ClNO2S2/c16-12(11-6-2-1-3-7-11)10-21(18,19)15-17-13-8-4-5-9-14(13)20-15/h1-9,12H,10H2
InChIKey
GXZFYSUCSDSYJF-UHFFFAOYSA-N
Compound name
2-(2-chloro-2-phenylethyl)sulfonyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.9998 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.00708 173.8
[M+Na]+ 359.98902 185.3
[M-H]- 335.99252 181.1
[M+NH4]+ 355.03362 190.9
[M+K]+ 375.96296 178.4
[M+H-H2O]+ 319.99706 168.6
[M+HCOO]- 381.99800 182.2
[M+CH3COO]- 396.01365 185.7
[M+Na-2H]- 357.97447 176.8
[M]+ 336.99925 181.1
[M]- 337.00035 181.1
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.