CID 2824895

2-(methylsulfinyl)benzo[d]thiazole

Structural Information

Molecular Formula
C8H7NOS2
SMILES
CS(=O)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C8H7NOS2/c1-12(10)8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChIKey
WNJYDCANHJSWTI-UHFFFAOYSA-N
Compound name
2-methylsulfinyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

196.9969 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.004176 135.5
[M+Na]+ 219.986118 147.7
[M-H]- 195.989624 139.9
[M+NH4]+ 215.030723 157.7
[M+K]+ 235.960058 143.6
[M+H-H2O]+ 179.994160 130.7
[M+HCOO]- 241.995101 150.0
[M+CH3COO]- 256.010751 149.9
[M+Na-2H]- 217.971566 138.5
[M]+ 196.99635142 140.7
[M]- 196.99744858 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe