CID 68429

567-13-5

Structural Information

Molecular Formula
C10H9NO4S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)N)S(=O)(=O)O
InChI
InChI=1S/C10H9NO4S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5,12H,11H2,(H,13,14,15)
InChIKey
YFGOOWJUPKTAPF-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

150
Patents

239.02522 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.032496 146.4
[M+Na]+ 262.014438 156.1
[M-H]- 238.017944 148.6
[M+NH4]+ 257.059043 163.9
[M+K]+ 277.988378 151.6
[M+H-H2O]+ 222.022480 141.3
[M+HCOO]- 284.023421 162.1
[M+CH3COO]- 298.039071 185.9
[M+Na-2H]- 259.999886 152.2
[M]+ 239.02467142 147.4
[M]- 239.02576858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe