CID 8356

118-33-2

Structural Information

Molecular Formula
C10H9NO6S2
SMILES
C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C10H9NO6S2/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey
KZCSUEYBKAPKNH-UHFFFAOYSA-N
Compound name
6-aminonaphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1479
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 160.6
[M+Na]+ 325.97634 169.4
[M-H]- 301.97984 161.7
[M+NH4]+ 321.02094 174.8
[M+K]+ 341.95028 163.9
[M+H-H2O]+ 285.98438 155.4
[M+HCOO]- 347.98532 169.7
[M+CH3COO]- 362.00097 194.3
[M+Na-2H]- 323.96179 166.8
[M]+ 302.98657 163.0
[M]- 302.98767 163.0
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