CID 81024

2-amino-5-hydroxynaphthalene-1,7-disulphonic acid

Structural Information

Molecular Formula
C10H9NO7S2
SMILES
C1=CC(=C(C2=C1C(=CC(=C2)S(=O)(=O)O)O)S(=O)(=O)O)N
InChI
InChI=1S/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKey
HIVUAOXLSJITPA-UHFFFAOYSA-N
Compound name
2-amino-5-hydroxynaphthalene-1,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1017
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

literature stripe

Patent stripe

patents stripe