CID 54469966

Disodium 4,4'-diazidostilbene-2,2'-disulphonate

Structural Information

Molecular Formula
C14H11N6O6S2
SMILES
C1=CC(=CC=C2C=CC(=N[N+]#N)C=C2S(=O)(=O)O)C(=CC1=NN=N)S(=O)(=O)O
InChI
InChI=1S/C14H10N6O6S2/c15-19-17-11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(18-20-16)8-14(10)28(24,25)26/h1-8,15H,(H-,21,22,23,24,25,26)/p+1
InChIKey
FFACNAXDQGYRMK-UHFFFAOYSA-O
Compound name
6-[2-(4-diazonioimino-2-sulfocyclohexa-2,5-dien-1-ylidene)ethylidene]-3-(iminohydrazinylidene)-1-sulfocyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

201
Patents

423.01816 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.02544 209.9
[M+Na]+ 446.00738 215.9
[M-H]- 422.01088 216.6
[M+NH4]+ 441.05198 217.2
[M+K]+ 461.98132 206.7
[M+H-H2O]+ 406.01542 196.7
[M+HCOO]- 468.01636 222.1
[M+CH3COO]- 482.03201 230.8
[M+Na-2H]- 443.99283 216.6
[M]+ 423.01761 202.9
[M]- 423.01871 202.9
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.