CID 5225331

Tri-o-tolylbismuth dichloride

Structural Information

Molecular Formula
C21H21BiCl2
SMILES
CC1=CC=CC=C1[Bi](C2=CC=CC=C2C)(C3=CC=CC=C3C)(Cl)Cl
InChI
InChI=1S/3C7H7.Bi.2ClH/c3*1-7-5-3-2-4-6-7;;;/h3*2-5H,1H3;;2*1H/q;;;+2;;/p-2
InChIKey
RLWWKAGRZATJDC-UHFFFAOYSA-L
Compound name
dichloro-tris(2-methylphenyl)bismuth
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

552.08246 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.08974 216.4
[M+Na]+ 575.07168 224.5
[M-H]- 551.07518 223.8
[M+NH4]+ 570.11628 228.8
[M+K]+ 591.04562 214.7
[M+H-H2O]+ 535.07972 207.1
[M+HCOO]- 597.08066 226.7
[M+CH3COO]- 611.09631 224.6
[M+Na-2H]- 573.05713 214.1
[M]+ 552.08191 220.0
[M]- 552.08301 220.0
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