CID 510584

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

Structural Information

Molecular Formula
C14H12ClNO2S
SMILES
CN1C(C2=CC=CC=C2S1(=O)=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H12ClNO2S/c1-16-14(10-6-2-4-8-12(10)15)11-7-3-5-9-13(11)19(16,17)18/h2-9,14H,1H3
InChIKey
SYXPAGFIFKNHQK-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-2-methyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.02774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03502 161.2
[M+Na]+ 316.01696 174.3
[M-H]- 292.02046 168.9
[M+NH4]+ 311.06156 182.3
[M+K]+ 331.99090 168.0
[M+H-H2O]+ 276.02500 155.8
[M+HCOO]- 338.02594 174.8
[M+CH3COO]- 352.04159 174.8
[M+Na-2H]- 314.00241 163.9
[M]+ 293.02719 167.0
[M]- 293.02829 167.0
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.