CID 67023

1-naphthol-4,8-disulfonic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

481
Patents

303.97113 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.97841 159.8
[M+Na]+ 326.96035 168.8
[M-H]- 302.96385 160.3
[M+NH4]+ 322.00495 173.9
[M+K]+ 342.93429 163.7
[M+H-H2O]+ 286.96839 155.2
[M+HCOO]- 348.96933 167.4
[M+CH3COO]- 362.98498 189.7
[M+Na-2H]- 324.94580 166.3
[M]+ 303.97058 163.7
[M]- 303.97168 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe