CID 9543072

1,2-dihydroxynaphthalene-6-sulfonate

Structural Information

Molecular Formula
C10H8O5S
SMILES
C1=CC2=C(C=CC(=C2O)O)C=C1S(=O)(=O)O
InChI
InChI=1S/C10H8O5S/c11-9-4-1-6-5-7(16(13,14)15)2-3-8(6)10(9)12/h1-5,11-12H,(H,13,14,15)
InChIKey
BMLXRHYQPFZFNY-UHFFFAOYSA-N
Compound name
5,6-dihydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

240.00925 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe