CID 153410

[4-[(4-aminophenyl)diazenyl]phenyl] hydrogen sulfate

Structural Information

Molecular Formula
C12H11N3O4S
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)OS(=O)(=O)O
InChI
InChI=1S/C12H11N3O4S/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19-20(16,17)18/h1-8H,13H2,(H,16,17,18)
InChIKey
LIZCHKSMOPLMRV-UHFFFAOYSA-N
Compound name
[4-[(4-aminophenyl)diazenyl]phenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.04703 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05431 161.0
[M+Na]+ 316.03625 168.9
[M-H]- 292.03975 169.1
[M+NH4]+ 311.08085 176.0
[M+K]+ 332.01019 165.5
[M+H-H2O]+ 276.04429 152.7
[M+HCOO]- 338.04523 184.4
[M+CH3COO]- 352.06088 204.9
[M+Na-2H]- 314.02170 167.9
[M]+ 293.04648 163.8
[M]- 293.04758 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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