CID 4058493

5,5'-(1,3-phenylene)bis(1h-1,2,3,4-tetrazole)

Structural Information

Molecular Formula
C8H6N8
SMILES
C1=CC(=CC(=C1)C2=NNN=N2)C3=NNN=N3
InChI
InChI=1S/C8H6N8/c1-2-5(7-9-13-14-10-7)4-6(3-1)8-11-15-16-12-8/h1-4H,(H,9,10,13,14)(H,11,12,15,16)
InChIKey
JUWKXYNFODBPTJ-UHFFFAOYSA-N
Compound name
5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

214.07155 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07883 143.9
[M+Na]+ 237.06077 155.3
[M-H]- 213.06427 142.5
[M+NH4]+ 232.10537 153.2
[M+K]+ 253.03471 149.1
[M+H-H2O]+ 197.06881 132.3
[M+HCOO]- 259.06975 160.4
[M+CH3COO]- 273.08540 154.4
[M+Na-2H]- 235.04622 150.1
[M]+ 214.07100 142.2
[M]- 214.07210 142.2
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