CID 66702

6,7-dihydroxynaphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C10H8O5S
SMILES
C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)O
InChI
InChI=1S/C10H8O5S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5,11-12H,(H,13,14,15)
InChIKey
DKJVSIITPZVTRO-UHFFFAOYSA-N
Compound name
6,7-dihydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1678
Patents

240.00925 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01653 147.2
[M+Na]+ 262.99847 159.1
[M+NH4]+ 258.04307 154.1
[M+K]+ 278.97241 153.4
[M-H]- 239.00197 146.8
[M+Na-2H]- 260.98392 151.5
[M]+ 240.00870 149.1
[M]- 240.00980 149.1
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