CID 510615

5-chloro-3-phenyl-2-propyl-3h-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C16H16ClNO2S
SMILES
CCCN1C(C2=C(S1(=O)=O)C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H16ClNO2S/c1-2-10-18-16(12-6-4-3-5-7-12)14-11-13(17)8-9-15(14)21(18,19)20/h3-9,11,16H,2,10H2,1H3
InChIKey
GUYQZODEOXPBRD-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-2-propyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.05902 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06630 170.1
[M+Na]+ 344.04824 182.3
[M-H]- 320.05174 177.4
[M+NH4]+ 339.09284 190.1
[M+K]+ 360.02218 175.6
[M+H-H2O]+ 304.05628 164.3
[M+HCOO]- 366.05722 183.0
[M+CH3COO]- 380.07287 182.8
[M+Na-2H]- 342.03369 171.8
[M]+ 321.05847 176.5
[M]- 321.05957 176.5
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.