CID 20521370

5-amino-1,3-benzenedissulfonic acid

Structural Information

Molecular Formula
C6H7NO6S2
SMILES
C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C6H7NO6S2/c7-4-1-5(14(8,9)10)3-6(2-4)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
InChIKey
GBWNQBBVSVGAAL-UHFFFAOYSA-N
Compound name
5-aminobenzene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

809
Patents

252.97148 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.97876 151.9
[M+Na]+ 275.96070 159.3
[M+NH4]+ 271.00530 156.5
[M+K]+ 291.93464 154.9
[M-H]- 251.96420 149.3
[M+Na-2H]- 273.94615 153.7
[M]+ 252.97093 152.7
[M]- 252.97203 152.7
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