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 166.5
[M+Na]+ 329.05662 175.6
[M-H]- 305.06012 174.3
[M+NH4]+ 324.10122 181.6
[M+K]+ 345.03056 171.6
[M+H-H2O]+ 289.06466 158.9
[M+HCOO]- 351.06560 187.3
[M+CH3COO]- 365.08125 206.4
[M+Na-2H]- 327.04207 171.0
[M]+ 306.06685 170.8
[M]- 306.06795 170.8
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.