CID 6454316

Einecs 263-348-4

Structural Information

Molecular Formula
C12H11N3O6S2
SMILES
C1=CC=C(C=C1)N=NC2=C(C(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C12H11N3O6S2/c13-9-6-7-10(15-14-8-4-2-1-3-5-8)12(23(19,20)21)11(9)22(16,17)18/h1-7H,13H2,(H,16,17,18)(H,19,20,21)
InChIKey
ZLAVFOWLBCBDSL-UHFFFAOYSA-N
Compound name
3-amino-6-phenyldiazenylbenzene-1,2-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

357.00894 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.016216 176.0
[M+Na]+ 379.998158 183.3
[M-H]- 356.001664 181.7
[M+NH4]+ 375.042763 187.2
[M+K]+ 395.972098 177.9
[M+H-H2O]+ 340.006200 167.8
[M+HCOO]- 402.007141 190.8
[M+CH3COO]- 416.022791 212.0
[M+Na-2H]- 377.983606 182.4
[M]+ 357.00839142 178.3
[M]- 357.00948858 178.3
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