CID 8316

116-63-2

Structural Information

Molecular Formula
C10H9NO4S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O
InChI
InChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChIKey
RXCMFQDTWCCLBL-UHFFFAOYSA-N
Compound name
4-amino-3-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

2677
Patents

239.02522 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03250 147.5
[M+Na]+ 262.01444 158.8
[M+NH4]+ 257.05904 154.6
[M+K]+ 277.98838 152.9
[M-H]- 238.01794 148.2
[M+Na-2H]- 259.99989 152.1
[M]+ 239.02467 149.6
[M]- 239.02577 149.6
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