CID 383518

Nsc671919

Structural Information

Molecular Formula
C14H8N2S6
SMILES
C1=CC=C2C(=C1)N=C(S2)SSSSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C14H8N2S6/c1-3-7-11-9(5-1)15-13(17-11)19-21-22-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
InChIKey
LRMGRIGFYBABAH-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yltetrasulfanyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

395.90118 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.90846 189.9
[M+Na]+ 418.89040 205.8
[M-H]- 394.89390 192.2
[M+NH4]+ 413.93500 203.9
[M+K]+ 434.86434 192.5
[M+H-H2O]+ 378.89844 188.6
[M+HCOO]- 440.89938 184.9
[M+CH3COO]- 454.91503 197.5
[M+Na-2H]- 416.87585 194.4
[M]+ 395.90063 187.9
[M]- 395.90173 187.9
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