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]+ 429.046096 196.8
[M+Na]+ 451.028038 205.0
[M-H]- 427.031544 201.9
[M+NH4]+ 446.072643 206.9
[M+K]+ 467.001978 198.9
[M+H-H2O]+ 411.036080 190.0
[M+HCOO]- 473.037021 203.7
[M+CH3COO]- 487.052671 215.3
[M+Na-2H]- 449.013486 207.7
[M]+ 428.03827142 201.6
[M]- 428.03936858 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.