CID 459185

Tri(dibenzofuran-4-yl)arsane

Structural Information

Molecular Formula
C36H21AsO3
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)[As](C4=CC=CC5=C4OC6=CC=CC=C56)C7=CC=CC8=C7OC9=CC=CC=C89
InChI
InChI=1S/C36H21AsO3/c1-4-19-31-22(10-1)25-13-7-16-28(34(25)38-31)37(29-17-8-14-26-23-11-2-5-20-32(23)39-35(26)29)30-18-9-15-27-24-12-3-6-21-33(24)40-36(27)30/h1-21H
InChIKey
YGRXMVTXLZVOFL-UHFFFAOYSA-N
Compound name
tri(dibenzofuran-4-yl)arsane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.0707 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.07798 224.3
[M+Na]+ 599.05992 236.1
[M-H]- 575.06342 242.6
[M+NH4]+ 594.10452 235.9
[M+K]+ 615.03386 231.6
[M+H-H2O]+ 559.06796 216.5
[M+HCOO]- 621.06890 242.1
[M+CH3COO]- 635.08455 234.3
[M+Na-2H]- 597.04537 224.3
[M]+ 576.07015 234.1
[M]- 576.07125 234.1
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.