CID 290787

2-(2-thienyl)benzothiazole

Structural Information

Molecular Formula
C11H7NS2
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=CS3
InChI
InChI=1S/C11H7NS2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-7H
InChIKey
CNDVGJHQJAJTJK-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

655
Patents

217.002 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.00928 142.7
[M+Na]+ 239.99122 156.4
[M-H]- 215.99472 151.0
[M+NH4]+ 235.03582 166.3
[M+K]+ 255.96516 151.6
[M+H-H2O]+ 199.99926 138.3
[M+HCOO]- 262.00020 160.0
[M+CH3COO]- 276.01585 157.9
[M+Na-2H]- 237.97667 144.9
[M]+ 217.00145 148.0
[M]- 217.00255 148.0
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