CID 173472

75742-13-1

Structural Information

Molecular Formula
C12H8N6O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C12H8N6O2S/c13-17-15-9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)16-18-14/h1-8H
InChIKey
LHCUYYJTVIYFEQ-UHFFFAOYSA-N
Compound name
1-azido-3-(3-azidophenyl)sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

331
Patents

300.04294 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05022 162.6
[M+Na]+ 323.03216 176.0
[M+NH4]+ 318.07676 170.4
[M+K]+ 339.00610 170.6
[M-H]- 299.03566 172.1
[M+Na-2H]- 321.01761 173.1
[M]+ 300.04239 167.3
[M]- 300.04349 167.3
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

patents stripe