CID 66567

Dahl's acid iii

Structural Information

Molecular Formula
C10H9NO6S2
SMILES
C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C10H9NO6S2/c11-9-3-4-10(19(15,16)17)7-2-1-6(5-8(7)9)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey
QUFFRITXLMVPMV-UHFFFAOYSA-N
Compound name
4-aminonaphthalene-1,6-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

431
Patents

302.98712 Da
Monoisotopic Mass

0.0
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

No literature data available for this compound.

Patent stripe

patents stripe