CID 116937

70911-48-7

Structural Information

Molecular Formula
C12H12N3O6PS
SMILES
C1=CC(=CC(=C1)P(=O)(O)O)N=NC2=CC(=C(C=C2)N)S(=O)(=O)O
InChI
InChI=1S/C12H12N3O6PS/c13-11-5-4-9(7-12(11)23(19,20)21)15-14-8-2-1-3-10(6-8)22(16,17)18/h1-7H,13H2,(H2,16,17,18)(H,19,20,21)
InChIKey
CPRZMXDJDARWGH-UHFFFAOYSA-N
Compound name
2-amino-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.01843 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02571 174.4
[M+Na]+ 380.00765 181.9
[M+NH4]+ 375.05225 177.8
[M+K]+ 395.98159 178.7
[M-H]- 356.01115 175.1
[M+Na-2H]- 377.99310 179.3
[M]+ 357.01788 175.5
[M]- 357.01898 175.5
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.