CID 16684029

Dibasic lead phthalate

Structural Information

Molecular Formula
C8H4O6Pb3
SMILES
C1=CC=C2C(=C1)C(=O)O[Pb]O[Pb]O[Pb]OC2=O
InChI
InChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;;;;2*+1/p-2
InChIKey
NKQZGKXBBHMXPR-UHFFFAOYSA-L
Compound name
3,5,7,9-tetraoxa-4lambda2,6lambda2,8lambda2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

819.9307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 820.93798 256.6
[M+Na]+ 842.91992 259.4
[M-H]- 818.92342 256.7
[M+NH4]+ 837.96452 260.4
[M+K]+ 858.89386 260.5
[M+H-H2O]+ 802.92796 248.2
[M+HCOO]- 864.92890 266.3
[M+CH3COO]- 878.94455 207.0
[M+Na-2H]- 840.90537 253.5
[M]+ 819.93015 256.2
[M]- 819.93125 256.2
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.