CID 2771902

2-(allylthio)benzo[d]thiazole

Structural Information

Molecular Formula
C10H9NS2
SMILES
C=CCSC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H9NS2/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2
InChIKey
BBSXEAQRDHEFLL-UHFFFAOYSA-N
Compound name
2-prop-2-enylsulfanyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

207.01764 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02492 139.2
[M+Na]+ 230.00686 151.2
[M-H]- 206.01036 143.3
[M+NH4]+ 225.05146 161.2
[M+K]+ 245.98080 145.8
[M+H-H2O]+ 190.01490 134.1
[M+HCOO]- 252.01584 154.0
[M+CH3COO]- 266.03149 153.2
[M+Na-2H]- 227.99231 142.2
[M]+ 207.01709 144.3
[M]- 207.01819 144.3
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