CID 5050160

4-(3-methyl-4-hydroxyphenylazo)benzenesulfonic acid

Structural Information

Molecular Formula
C13H12N2O4S
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)O
InChI
InChI=1S/C13H12N2O4S/c1-9-8-11(4-7-13(9)16)15-14-10-2-5-12(6-3-10)20(17,18)19/h2-8,16H,1H3,(H,17,18,19)
InChIKey
HVFDEWUPMDGDAM-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-3-methylphenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

292.0518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05908 163.5
[M+Na]+ 315.04102 175.3
[M+NH4]+ 310.08562 170.1
[M+K]+ 331.01496 168.2
[M-H]- 291.04452 167.0
[M+Na-2H]- 313.02647 171.2
[M]+ 292.05125 166.5
[M]- 292.05235 166.5
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

patents stripe