CID 481104

(s)-2-methyl-3-(3-vinyl-phenyl)-2,3-dihydro-benzo[d]isothiazole 1,1-dioxide

Structural Information

Molecular Formula
C16H15NO2S
SMILES
CN1[C@H](C2=CC=CC=C2S1(=O)=O)C3=CC=CC(=C3)C=C
InChI
InChI=1S/C16H15NO2S/c1-3-12-7-6-8-13(11-12)16-14-9-4-5-10-15(14)20(18,19)17(16)2/h3-11,16H,1H2,2H3/t16-/m0/s1
InChIKey
ZSMNPOVLNOSZKF-INIZCTEOSA-N
Compound name
(3S)-3-(3-ethenylphenyl)-2-methyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.08234 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08962 162.5
[M+Na]+ 308.07156 174.4
[M-H]- 284.07506 170.0
[M+NH4]+ 303.11616 183.0
[M+K]+ 324.04550 168.5
[M+H-H2O]+ 268.07960 156.2
[M+HCOO]- 330.08054 180.2
[M+CH3COO]- 344.09619 175.7
[M+Na-2H]- 306.05701 164.8
[M]+ 285.08179 166.3
[M]- 285.08289 166.3
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.