CID 16684619

Antimonyl-2-hydroxy-1,3-sodium dicarboxynaphthalein

Structural Information

Molecular Formula
C24H13O10Sb
SMILES
C1=CC=C2C(=C1)C=C3C(=C2C(=O)O)O[Sb](OC3=O)OC4=C(C5=CC=CC=C5C=C4C(=O)O)C(=O)O
InChI
InChI=1S/2C12H8O5.Sb/c2*13-10-8(11(14)15)5-6-3-1-2-4-7(6)9(10)12(16)17;/h2*1-5,13H,(H,14,15)(H,16,17);/q;;+3/p-3
InChIKey
YEMHULXXOILTGE-UHFFFAOYSA-K
Compound name
2-(10-carboxy-4-oxobenzo[g][1,3,2]benzodioxastibinin-2-yl)oxynaphthalene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.95465 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.96193 219.8
[M+Na]+ 604.94387 233.4
[M+NH4]+ 599.98847 223.2
[M+K]+ 620.91781 229.2
[M-H]- 580.94737 224.0
[M+Na-2H]- 602.92932 220.6
[M]+ 581.95410 222.7
[M]- 581.95520 222.7
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

No patent data available for this compound.