CID 43853

1-naphthol-3,6-disulfonic acid

Structural Information

Molecular Formula
C10H8O7S2
SMILES
C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChIKey
TZBROGJRQUABOK-UHFFFAOYSA-N
Compound name
4-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1022
Patents

303.97113 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.97841 162.5
[M+Na]+ 326.96035 171.9
[M+NH4]+ 322.00495 167.5
[M+K]+ 342.93429 166.4
[M-H]- 302.96385 160.0
[M+Na-2H]- 324.94580 164.9
[M]+ 303.97058 163.8
[M]- 303.97168 163.8
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