CID 25232457

(r)-[1,1'-binaphthalene]-2,2'-disulfonic acid

Structural Information

Molecular Formula
C20H14O6S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C20H14O6S2/c21-27(22,23)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28(24,25)26/h1-12H,(H,21,22,23)(H,24,25,26)
InChIKey
ZSWODTYSMOCDKE-UHFFFAOYSA-N
Compound name
1-(2-sulfonaphthalen-1-yl)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

414.0232 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.03048 191.8
[M+Na]+ 437.01242 201.8
[M-H]- 413.01592 197.6
[M+NH4]+ 432.05702 203.0
[M+K]+ 452.98636 195.2
[M+H-H2O]+ 397.02046 185.0
[M+HCOO]- 459.02140 200.4
[M+CH3COO]- 473.03705 214.5
[M+Na-2H]- 434.99787 200.5
[M]+ 414.02265 197.6
[M]- 414.02375 197.6
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