CID 94124

58596-07-9

Structural Information

Molecular Formula
C10H9NO4S
SMILES
C1=CC2=C(C=CC(=C2O)S(=O)(=O)O)C(=C1)N
InChI
InChI=1S/C10H9NO4S/c11-8-3-1-2-7-6(8)4-5-9(10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChIKey
WIBJYEYYELZZGS-UHFFFAOYSA-N
Compound name
5-amino-1-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

239.02522 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03250 146.4
[M+Na]+ 262.01444 156.1
[M-H]- 238.01794 148.6
[M+NH4]+ 257.05904 163.9
[M+K]+ 277.98838 151.6
[M+H-H2O]+ 222.02248 141.3
[M+HCOO]- 284.02342 162.1
[M+CH3COO]- 298.03907 185.9
[M+Na-2H]- 259.99989 152.2
[M]+ 239.02467 147.4
[M]- 239.02577 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

No literature data available for this compound.

Patent stripe

patents stripe