CID 463091

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

Structural Information

Molecular Formula
C14H8I2N8S2
SMILES
C1=CC(=CC=C1N2C(=NN=N2)SSC3=NN=NN3C4=CC=C(C=C4)I)I
InChI
InChI=1S/C14H8I2N8S2/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
LCHLSTXJSZHYBN-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)-5-[[1-(4-iodophenyl)tetrazol-5-yl]disulfanyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.8403 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.84758 171.9
[M+Na]+ 628.82952 172.8
[M-H]- 604.83302 165.4
[M+NH4]+ 623.87412 170.6
[M+K]+ 644.80346 176.0
[M+H-H2O]+ 588.83756 158.8
[M+HCOO]- 650.83850 173.9
[M+CH3COO]- 664.85415 174.3
[M+Na-2H]- 626.81497 157.7
[M]+ 605.83975 172.0
[M]- 605.84085 172.0
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.