CID 279141

Nsc129431

Structural Information

Molecular Formula
C21H18BiCl3O3
SMILES
COC1=CC(=C(C=C1)Cl)[Bi](C2=C(C=CC(=C2)OC)Cl)C3=C(C=CC(=C3)OC)Cl
InChI
InChI=1S/3C7H6ClO.Bi/c3*1-9-7-4-2-6(8)3-5-7;/h3*2,4-5H,1H3;
InChIKey
KZGABUHMUFMIRY-UHFFFAOYSA-N
Compound name
tris(2-chloro-5-methoxyphenyl)bismuthane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.0126 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.01988 230.7
[M+Na]+ 655.00182 239.4
[M-H]- 631.00532 237.4
[M+NH4]+ 650.04642 240.2
[M+K]+ 670.97576 231.9
[M+H-H2O]+ 615.00986 221.3
[M+HCOO]- 677.01080 236.0
[M+CH3COO]- 691.02645 234.5
[M+Na-2H]- 652.98727 225.6
[M]+ 632.01205 240.0
[M]- 632.01315 240.0
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.