CID 6454316

61950-37-6

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
1
Annotation Hits

0
References

4
Patents

357.00894 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.01622 175.9
[M+Na]+ 379.99816 183.9
[M+NH4]+ 375.04276 180.1
[M+K]+ 395.97210 178.1
[M-H]- 356.00166 177.2
[M+Na-2H]- 377.98361 181.4
[M]+ 357.00839 177.9
[M]- 357.00949 177.9
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

patents stripe