CID 73952085

O-anisidine antimonyl tartrate

Structural Information

Molecular Formula
C8H6O12Sb2
SMILES
[C@H]12[C@@H](O[Sb]3O[C@H]([C@@H](O[Sb](O1)OC2=O)C(=O)O)C(=O)O3)C(=O)O
InChI
InChI=1S/2C4H4O6.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2H,(H,7,8)(H,9,10);;/q2*-2;2*+3/p-2/t2*1-,2-;;/m11../s1
InChIKey
JFVMOLRNQCNLCH-IWZZCOQPSA-L
Compound name
(3R,4R,9R,10R)-5,11-dioxo-2,6,8,12,13,14-hexaoxa-1,7-distibatricyclo[8.2.1.14,7]tetradecane-3,9-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

0
Patents

535.7936 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.80088 192.7
[M+Na]+ 558.78282 197.8
[M-H]- 534.78632 192.7
[M+NH4]+ 553.82742 198.8
[M+K]+ 574.75676 203.7
[M+H-H2O]+ 518.79086 194.6
[M+HCOO]- 580.79180 197.9
[M+CH3COO]- 594.80745 209.0
[M+Na-2H]- 556.76827 193.7
[M]+ 535.79305 198.3
[M]- 535.79415 198.3
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.