CID 11264602

2-(vinylsulfonyl)benzo[d]thiazole

Structural Information

Molecular Formula
C9H7NO2S2
SMILES
C=CS(=O)(=O)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C9H7NO2S2/c1-2-14(11,12)9-10-7-5-3-4-6-8(7)13-9/h2-6H,1H2
InChIKey
KQANLUPCSMZGHR-UHFFFAOYSA-N
Compound name
2-ethenylsulfonyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

224.99182 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99910 146.0
[M+Na]+ 247.98104 158.6
[M-H]- 223.98454 150.3
[M+NH4]+ 243.02564 167.0
[M+K]+ 263.95498 153.5
[M+H-H2O]+ 207.98908 141.3
[M+HCOO]- 269.99002 160.2
[M+CH3COO]- 284.00567 182.8
[M+Na-2H]- 245.96649 150.3
[M]+ 224.99127 151.5
[M]- 224.99237 151.5
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