CID 8338

2-amino-1,5-naphthalenedisulfonic acid

Structural Information

Molecular Formula
C10H9NO6S2
SMILES
C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey
YAIKCRUPEVOINQ-UHFFFAOYSA-N
Compound name
2-aminonaphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1446
Patents

302.98712 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99440 162.5
[M+Na]+ 325.97634 171.4
[M+NH4]+ 321.02094 167.7
[M+K]+ 341.95028 165.7
[M-H]- 301.97984 161.0
[M+Na-2H]- 323.96179 165.2
[M]+ 302.98657 164.0
[M]- 302.98767 164.0
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