CID 78795

5,5'-dithiobis(1-phenyl-1h-tetrazole)

Structural Information

Molecular Formula
C14H10N8S2
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)SSC3=NN=NN3C4=CC=CC=C4
InChI
InChI=1S/C14H10N8S2/c1-3-7-11(8-4-1)21-13(15-17-19-21)23-24-14-16-18-20-22(14)12-9-5-2-6-10-12/h1-10H
InChIKey
CJXASCLMZSMFTL-UHFFFAOYSA-N
Compound name
1-phenyl-5-[(1-phenyltetrazol-5-yl)disulfanyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

102
Patents

354.047 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05428 168.3
[M+Na]+ 377.03622 185.1
[M+NH4]+ 372.08082 174.7
[M+K]+ 393.01016 177.9
[M-H]- 353.03972 172.6
[M+Na-2H]- 375.02167 179.2
[M]+ 354.04645 172.8
[M]- 354.04755 172.8
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