CID 67015

117-22-6

Structural Information

Molecular Formula
C10H8O4S
SMILES
C1=CC2=C(C(=C1)O)C(=CC=C2)S(=O)(=O)O
InChI
InChI=1S/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)
InChIKey
ZPLBZGGKAUXTRT-UHFFFAOYSA-N
Compound name
8-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

572
Patents

224.01433 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02161 143.7
[M+Na]+ 247.00355 156.4
[M+NH4]+ 242.04815 151.7
[M+K]+ 262.97749 149.6
[M-H]- 223.00705 144.4
[M+Na-2H]- 244.98900 149.4
[M]+ 224.01378 146.2
[M]- 224.01488 146.2
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