CID 10603660

Tris(2-methoxyphenyl)bismuth dichloride

Structural Information

Molecular Formula
C21H21BiCl2O3
SMILES
COC1=CC=CC=C1[Bi](C2=CC=CC=C2OC)(C3=CC=CC=C3OC)(Cl)Cl
InChI
InChI=1S/3C7H7O.Bi.2ClH/c3*1-8-7-5-3-2-4-6-7;;;/h3*2-5H,1H3;;2*1H/q;;;+2;;/p-2
InChIKey
VWHUHQRLABAFKC-UHFFFAOYSA-L
Compound name
dichloro-tris(2-methoxyphenyl)bismuth
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

600.0672 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.07448 225.4
[M+Na]+ 623.05642 233.0
[M-H]- 599.05992 233.1
[M+NH4]+ 618.10102 235.6
[M+K]+ 639.03036 225.6
[M+H-H2O]+ 583.06446 215.6
[M+HCOO]- 645.06540 236.4
[M+CH3COO]- 659.08105 227.1
[M+Na-2H]- 621.04187 223.4
[M]+ 600.06665 233.2
[M]- 600.06775 233.2
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

patents stripe