CID 510600

2-butyl-3-(3-chlorophenyl)-3h-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C17H18ClNO2S
SMILES
CCCCN1C(C2=CC=CC=C2S1(=O)=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H18ClNO2S/c1-2-3-11-19-17(13-7-6-8-14(18)12-13)15-9-4-5-10-16(15)22(19,20)21/h4-10,12,17H,2-3,11H2,1H3
InChIKey
FUVANGJGCLOGLB-UHFFFAOYSA-N
Compound name
2-butyl-3-(3-chlorophenyl)-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.07468 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08196 174.5
[M+Na]+ 358.06390 186.3
[M-H]- 334.06740 181.6
[M+NH4]+ 353.10850 193.9
[M+K]+ 374.03784 179.3
[M+H-H2O]+ 318.07194 168.5
[M+HCOO]- 380.07288 187.1
[M+CH3COO]- 394.08853 186.8
[M+Na-2H]- 356.04935 175.8
[M]+ 335.07413 181.2
[M]- 335.07523 181.2
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.