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
1
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]+ 347.01155 165.9
[M+Na]+ 368.99349 172.4
[M-H]- 344.99699 168.2
[M+NH4]+ 364.03809 184.7
[M+K]+ 384.96743 170.5
[M+H-H2O]+ 329.00153 158.2
[M+HCOO]- 391.00247 188.7
[M+CH3COO]- 405.01812 180.6
[M+Na-2H]- 366.97894 169.3
[M]+ 346.00372 167.7
[M]- 346.00482 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.