CID 16684296

Antimonyl-7-formyl-8-hydroxyquinoline-5-sulphonate

Structural Information

Molecular Formula
C20H12N2O10S2Sb
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O[Sb]OC3=C4C(=C(C=C3C=O)S(=O)(=O)O)C=CC=N4)C=O)S(=O)(=O)O
InChI
InChI=1S/2C10H7NO5S.Sb/c2*12-5-6-4-8(17(14,15)16)7-2-1-3-11-9(7)10(6)13;/h2*1-5,13H,(H,14,15,16);/q;;+2/p-2
InChIKey
VOPRLQYKAKHJHA-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

624.89716 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.90444 232.2
[M+Na]+ 647.88638 239.8
[M-H]- 623.88988 234.3
[M+NH4]+ 642.93098 234.5
[M+K]+ 663.86032 234.8
[M+H-H2O]+ 607.89442 222.5
[M+HCOO]- 669.89536 237.2
[M+CH3COO]- 683.91101 236.9
[M+Na-2H]- 645.87183 239.6
[M]+ 624.89661 243.0
[M]- 624.89771 243.0
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.