CID 463088

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

Structural Information

Molecular Formula
C14H8Br2N8S2
SMILES
C1=CC(=CC=C1N2C(=NN=N2)SSC3=NN=NN3C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C14H8Br2N8S2/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
ACJSTFNBZXJRDB-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5-[[1-(4-bromophenyl)tetrazol-5-yl]disulfanyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.868 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.87528 134.8
[M+Na]+ 532.85722 152.2
[M-H]- 508.86072 144.5
[M+NH4]+ 527.90182 145.0
[M+K]+ 548.83116 136.6
[M+H-H2O]+ 492.86526 146.0
[M+HCOO]- 554.86620 143.5
[M+CH3COO]- 568.88185 149.4
[M+Na-2H]- 530.84267 141.2
[M]+ 509.86745 173.0
[M]- 509.86855 173.0
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.