CID 105666

Disodium di-2-naphthylmethanedisulphonate

Structural Information

Molecular Formula
C21H16O6S2
SMILES
C1=CC=C2C=C(C=CC2=C1)C(C3=CC4=CC=CC=C4C=C3)(S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C21H16O6S2/c22-28(23,24)21(29(25,26)27,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,(H,22,23,24)(H,25,26,27)
InChIKey
QTPZTDOILHXVSY-UHFFFAOYSA-N
Compound name
dinaphthalen-2-ylmethanedisulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

428.03882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.04610 196.8
[M+Na]+ 451.02804 205.0
[M-H]- 427.03154 201.9
[M+NH4]+ 446.07264 206.9
[M+K]+ 467.00198 198.9
[M+H-H2O]+ 411.03608 190.0
[M+HCOO]- 473.03702 203.7
[M+CH3COO]- 487.05267 215.3
[M+Na-2H]- 449.01349 207.7
[M]+ 428.03827 201.6
[M]- 428.03937 201.6
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

No patent data available for this compound.