CID 350151

2,2'-bibenzothiazole

Structural Information

Molecular Formula
C14H8N2S2
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C14H8N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8H
InChIKey
YJVXQQKAUCYQIP-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

256
Patents

268.01288 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02016 154.5
[M+Na]+ 291.00210 170.3
[M-H]- 267.00560 162.9
[M+NH4]+ 286.04670 176.1
[M+K]+ 306.97604 164.0
[M+H-H2O]+ 251.01014 149.7
[M+HCOO]- 313.01108 171.1
[M+CH3COO]- 327.02673 169.2
[M+Na-2H]- 288.98755 158.4
[M]+ 268.01233 162.1
[M]- 268.01343 162.1
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