CID 459186

Tri(dibenzothiophen-4-yl)arsane

Structural Information

Molecular Formula
C36H21AsS3
SMILES
C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)[As](C4=CC=CC5=C4SC6=CC=CC=C56)C7=CC=CC8=C7SC9=CC=CC=C89
InChI
InChI=1S/C36H21AsS3/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
CPNCLSBIDOZCJJ-UHFFFAOYSA-N
Compound name
tri(dibenzothiophen-4-yl)arsane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.00214 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.00942 235.8
[M+Na]+ 646.99136 251.0
[M-H]- 622.99486 250.8
[M+NH4]+ 642.03596 252.0
[M+K]+ 662.96530 242.4
[M+H-H2O]+ 606.99940 232.9
[M+HCOO]- 669.00034 245.1
[M+CH3COO]- 683.01599 244.9
[M+Na-2H]- 644.97681 237.6
[M]+ 624.00159 246.9
[M]- 624.00269 246.9
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.