CID 16683122

Diphenyl((trifluoroacetyl)oxy)bismuthine

Structural Information

Molecular Formula
C14H10BiF3O2
SMILES
C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)OC(=O)C(F)(F)F
InChI
InChI=1S/2C6H5.C2HF3O2.Bi/c2*1-2-4-6-5-3-1;3-2(4,5)1(6)7;/h2*1-5H;(H,6,7);/q;;;+1/p-1
InChIKey
DURGVWCQPSDZQZ-UHFFFAOYSA-M
Compound name
diphenylbismuthanyl 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.0437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.05098 198.7
[M+Na]+ 499.03292 203.6
[M-H]- 475.03642 199.5
[M+NH4]+ 494.07752 211.6
[M+K]+ 515.00686 198.9
[M+H-H2O]+ 459.04096 186.5
[M+HCOO]- 521.04190 214.2
[M+CH3COO]- 535.05755 204.9
[M+Na-2H]- 497.01837 198.4
[M]+ 476.04315 194.9
[M]- 476.04425 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.