CID 16683509

4723-24-4

Structural Information

Molecular Formula
C14H13BiO2
SMILES
CC(=O)O[Bi](C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/2C6H5.C2H4O2.Bi/c2*1-2-4-6-5-3-1;1-2(3)4;/h2*1-5H;1H3,(H,3,4);/q;;;+1/p-1
InChIKey
GQDHGSXQYMVUJR-UHFFFAOYSA-M
Compound name
diphenylbismuthanyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

422.07196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.079236 189.6
[M+Na]+ 445.061178 193.8
[M-H]- 421.064684 194.3
[M+NH4]+ 440.105783 204.8
[M+K]+ 461.035118 190.0
[M+H-H2O]+ 405.069220 179.9
[M+HCOO]- 467.070161 210.0
[M+CH3COO]- 481.085811 197.1
[M+Na-2H]- 443.046626 190.4
[M]+ 422.07141142 189.7
[M]- 422.07250858 189.7
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

patents stripe