CID 510596

3-(2,6-dichlorophenyl)-2-methyl-3h-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C14H11Cl2NO2S
SMILES
CN1C(C2=CC=CC=C2S1(=O)=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C14H11Cl2NO2S/c1-17-14(13-10(15)6-4-7-11(13)16)9-5-2-3-8-12(9)20(17,18)19/h2-8,14H,1H3
InChIKey
GAEOGWQACKNMRY-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-2-methyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.98877 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.99605 166.7
[M+Na]+ 349.97799 180.8
[M-H]- 325.98149 174.1
[M+NH4]+ 345.02259 187.1
[M+K]+ 365.95193 173.6
[M+H-H2O]+ 309.98603 162.2
[M+HCOO]- 371.98697 175.2
[M+CH3COO]- 386.00262 179.8
[M+Na-2H]- 347.96344 168.2
[M]+ 326.98822 173.9
[M]- 326.98932 173.9
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.