CID 510604

3-(3-chlorophenyl)-2,3-dimethyl-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C15H14ClNO2S
SMILES
CC1(C2=CC=CC=C2S(=O)(=O)N1C)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H14ClNO2S/c1-15(11-6-5-7-12(16)10-11)13-8-3-4-9-14(13)20(18,19)17(15)2/h3-10H,1-2H3
InChIKey
FSUWGWTXGVTLBX-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-2,3-dimethyl-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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05065 163.4
[M+Na]+ 330.03259 177.0
[M-H]- 306.03609 171.2
[M+NH4]+ 325.07719 185.9
[M+K]+ 346.00653 170.7
[M+H-H2O]+ 290.04063 158.3
[M+HCOO]- 352.04157 176.7
[M+CH3COO]- 366.05722 177.0
[M+Na-2H]- 328.01804 167.2
[M]+ 307.04282 169.9
[M]- 307.04392 169.9
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.