CID 394289

Nsc697656

Structural Information

Molecular Formula
C14H8N2S5
SMILES
C1=CC=C2C(=C1)N=C(S2)SSSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C14H8N2S5/c1-3-7-11-9(5-1)15-13(17-11)19-21-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
InChIKey
NNXFFSJFGWVCOK-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yltrisulfanyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.9291 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.93638 176.7
[M+Na]+ 386.91832 193.2
[M-H]- 362.92182 181.2
[M+NH4]+ 381.96292 193.3
[M+K]+ 402.89226 182.2
[M+H-H2O]+ 346.92636 175.0
[M+HCOO]- 408.92730 177.0
[M+CH3COO]- 422.94295 186.9
[M+Na-2H]- 384.90377 180.6
[M]+ 363.92855 179.2
[M]- 363.92965 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe