CID 463089

1-(4-chlorophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]disulfanyl]tetrazole

Structural Information

Molecular Formula
C14H8Cl2N8S2
SMILES
C1=CC(=CC=C1N2C(=NN=N2)SSC3=NN=NN3C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C14H8Cl2N8S2/c15-9-1-5-11(6-2-9)23-13(17-19-21-23)25-26-14-18-20-22-24(14)12-7-3-10(16)4-8-12/h1-8H
InChIKey
CHRKTMUTDAZLJZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]disulfanyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.96906 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.97634 181.7
[M+Na]+ 444.95828 197.9
[M-H]- 420.96178 186.7
[M+NH4]+ 440.00288 188.1
[M+K]+ 460.93222 188.9
[M+H-H2O]+ 404.96632 172.3
[M+HCOO]- 466.96726 182.3
[M+CH3COO]- 480.98291 191.3
[M+Na-2H]- 442.94373 179.2
[M]+ 421.96851 189.2
[M]- 421.96961 189.2
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

No patent data available for this compound.