CID 44409351

Tris(4-trifluoromethylphenyl)bismuth dichloride

Structural Information

Molecular Formula
C21H12BiCl2F9
SMILES
C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl
InChI
InChI=1S/3C7H4F3.Bi.2ClH/c3*8-7(9,10)6-4-2-1-3-5-6;;;/h3*2-5H;;2*1H/q;;;+2;;/p-2
InChIKey
VOZWPVZQISDWJM-UHFFFAOYSA-L
Compound name
dichloro-tris[4-(trifluoromethyl)phenyl]bismuth
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

713.9976 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.00488 239.8
[M+Na]+ 736.98682 250.0
[M-H]- 712.99032 236.6
[M+NH4]+ 732.03142 245.6
[M+K]+ 752.96076 238.0
[M+H-H2O]+ 696.99486 223.1
[M+HCOO]- 758.99580 236.4
[M+CH3COO]- 773.01145 243.7
[M+Na-2H]- 734.97227 235.1
[M]+ 713.99705 232.2
[M]- 713.99815 232.2
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