CID 67311

Benzenesulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]-

Structural Information

Molecular Formula
C13H13N3O4S
SMILES
COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N
InChI
InChI=1S/C13H13N3O4S/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)
InChIKey
FUWKWQCNMNPILC-UHFFFAOYSA-N
Compound name
3-[(4-amino-3-methoxyphenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

307.06268 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06996 165.9
[M+Na]+ 330.05190 174.0
[M-H]- 306.05540 174.1
[M+NH4]+ 325.09650 180.6
[M+K]+ 346.02584 170.6
[M+H-H2O]+ 290.05994 157.5
[M+HCOO]- 352.06088 188.8
[M+CH3COO]- 366.07653 209.2
[M+Na-2H]- 328.03735 171.5
[M]+ 307.06213 169.4
[M]- 307.06323 169.4
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