CID 80675

4,7-dihydroxynaphthalene-2-sulphonic acid

Structural Information

Molecular Formula
C10H8O5S
SMILES
C1=CC2=C(C=C(C=C2C=C1O)S(=O)(=O)O)O
InChI
InChI=1S/C10H8O5S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,11-12H,(H,13,14,15)
InChIKey
DMYHTSZRAULBDW-UHFFFAOYSA-N
Compound name
4,7-dihydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

240.00925 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.016526 145.6
[M+Na]+ 262.998468 155.5
[M-H]- 239.001974 147.1
[M+NH4]+ 258.043073 162.9
[M+K]+ 278.972408 151.3
[M+H-H2O]+ 223.006510 141.0
[M+HCOO]- 285.007451 159.7
[M+CH3COO]- 299.023101 181.2
[M+Na-2H]- 260.983916 151.6
[M]+ 240.00870142 148.0
[M]- 240.00979858 148.0
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