CID 3010339

4-amino-5-hydroxy-naphthalene-1,8-disulfonic acid

Structural Information

Molecular Formula
C10H9NO7S2
SMILES
C1=CC(=C2C(=CC=C(C2=C1N)O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C10H9NO7S2/c11-5-1-3-7(19(13,14)15)10-8(20(16,17)18)4-2-6(12)9(5)10/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKey
QQTNVOFFSDCDIM-UHFFFAOYSA-N
Compound name
4-amino-5-hydroxynaphthalene-1,8-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.98206 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.98934 162.8
[M+Na]+ 341.97128 171.3
[M-H]- 317.97478 162.6
[M+NH4]+ 337.01588 175.7
[M+K]+ 357.94522 165.9
[M+H-H2O]+ 301.97932 157.8
[M+HCOO]- 363.98026 170.4
[M+CH3COO]- 377.99591 196.0
[M+Na-2H]- 339.95673 168.7
[M]+ 318.98151 165.2
[M]- 318.98261 165.2
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

No patent data available for this compound.