CID 510614

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

Structural Information

Molecular Formula
C15H14ClNO2S
SMILES
CCN1C(C2=C(S1(=O)=O)C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H14ClNO2S/c1-2-17-15(11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)20(17,18)19/h3-10,15H,2H2,1H3
InChIKey
HUKBDOCNVQVAFG-UHFFFAOYSA-N
Compound name
5-chloro-2-ethyl-3-phenyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.04337 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05065 165.6
[M+Na]+ 330.03259 178.3
[M-H]- 306.03609 173.2
[M+NH4]+ 325.07719 186.2
[M+K]+ 346.00653 171.8
[M+H-H2O]+ 290.04063 160.1
[M+HCOO]- 352.04157 178.9
[M+CH3COO]- 366.05722 178.8
[M+Na-2H]- 328.01804 167.9
[M]+ 307.04282 171.7
[M]- 307.04392 171.7
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.