CID 173472

Benzene, 1,1'-sulfonylbis[3-azido-

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 162.2
[M+Na]+ 323.03216 167.7
[M-H]- 299.03566 173.4
[M+NH4]+ 318.07676 176.2
[M+K]+ 339.00610 154.5
[M+H-H2O]+ 283.04020 160.7
[M+HCOO]- 345.04114 192.2
[M+CH3COO]- 359.05679 205.1
[M+Na-2H]- 321.01761 175.5
[M]+ 300.04239 158.3
[M]- 300.04349 158.3
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