CID 16683963

Benzoic acid, oxobismuthino ester

Structural Information

Molecular Formula
C7H5BiO3
SMILES
C1=CC=C(C=C1)C(=O)O[Bi]=O
InChI
InChI=1S/C7H6O2.Bi.O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;/q;+1;/p-1
InChIKey
DELQWXXYVBRYIG-UHFFFAOYSA-M
Compound name
oxobismuthanyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

346.00427 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.011546 165.9
[M+Na]+ 368.993488 172.4
[M-H]- 344.996994 168.2
[M+NH4]+ 364.038093 184.7
[M+K]+ 384.967428 170.5
[M+H-H2O]+ 329.001530 158.2
[M+HCOO]- 391.002471 188.7
[M+CH3COO]- 405.018121 180.6
[M+Na-2H]- 366.978936 169.3
[M]+ 346.00372142 167.7
[M]- 346.00481858 167.7
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.