CID 112864

62570-47-2

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C13H13N3O3S/c1-9-8-10(14)2-7-13(9)16-15-11-3-5-12(6-4-11)20(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)
InChIKey
GGXMFMNTPDTOMP-UHFFFAOYSA-N
Compound name
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

291.06775 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.075026 163.0
[M+Na]+ 314.056968 171.5
[M-H]- 290.060474 171.3
[M+NH4]+ 309.101573 178.5
[M+K]+ 330.030908 167.4
[M+H-H2O]+ 274.065010 154.9
[M+HCOO]- 336.065951 185.7
[M+CH3COO]- 350.081601 206.9
[M+Na-2H]- 312.042416 168.4
[M]+ 291.06720142 165.1
[M]- 291.06829858 165.1
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