CID 111868

68941-04-8

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
CC1=CC(=C(C(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)O)C
InChI
InChI=1S/C14H14N2O4S/c1-9-7-10(2)14(17)13(8-9)16-15-11-3-5-12(6-4-11)21(18,19)20/h3-8,17H,1-2H3,(H,18,19,20)
InChIKey
YYNBNRIYTJKLMN-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-3,5-dimethylphenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 168.3
[M+Na]+ 329.05662 180.3
[M+NH4]+ 324.10122 174.8
[M+K]+ 345.03056 173.1
[M-H]- 305.06012 171.8
[M+Na-2H]- 327.04207 175.5
[M]+ 306.06685 171.3
[M]- 306.06795 171.3
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

No patent data available for this compound.