CID 66523

4,5-dihydroxy-1-naphthalenesulfonic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

240.00925 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01653 145.6
[M+Na]+ 262.99847 155.5
[M-H]- 239.00197 147.1
[M+NH4]+ 258.04307 162.9
[M+K]+ 278.97241 151.3
[M+H-H2O]+ 223.00651 141.0
[M+HCOO]- 285.00745 159.7
[M+CH3COO]- 299.02310 181.2
[M+Na-2H]- 260.98392 151.6
[M]+ 240.00870 148.0
[M]- 240.00980 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

literature stripe

Patent stripe

patents stripe