CID 67025

1-naphthalenesulfonic acid, 5-hydroxy-

Structural Information

Molecular Formula
C10H8O4S
SMILES
C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)O
InChI
InChI=1S/C10H8O4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6,11H,(H,12,13,14)
InChIKey
YLKCHWCYYNKADS-UHFFFAOYSA-N
Compound name
5-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2077
Patents

224.01433 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02161 142.5
[M+Na]+ 247.00355 152.5
[M-H]- 223.00705 145.3
[M+NH4]+ 242.04815 161.2
[M+K]+ 262.97749 148.4
[M+H-H2O]+ 207.01159 137.8
[M+HCOO]- 269.01253 158.1
[M+CH3COO]- 283.02818 180.0
[M+Na-2H]- 244.98900 149.4
[M]+ 224.01378 144.9
[M]- 224.01488 144.9
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