CID 385573

Nsc676864

Structural Information

Molecular Formula
C43H34P2Se
SMILES
C1=CC=C(C=C1)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)P(=[Se])(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C43H34P2Se/c46-45(40-27-15-5-16-28-40,41-29-17-6-18-30-41)42-33-31-36(32-34-42)43(35-19-7-1-8-20-35)44(37-21-9-2-10-22-37,38-23-11-3-12-24-38)39-25-13-4-14-26-39/h1-34H
InChIKey
OGCQVGNXFQKRGU-UHFFFAOYSA-N
Compound name
diphenyl-[4-[phenyl-(triphenyl-lambda5-phosphanylidene)methyl]phenyl]-selanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

692.1301 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.13738 268.5
[M+Na]+ 715.11932 265.7
[M-H]- 691.12282 280.8
[M+NH4]+ 710.16392 265.1
[M+K]+ 731.09326 255.6
[M+H-H2O]+ 675.12736 246.2
[M+HCOO]- 737.12830 288.8
[M+CH3COO]- 751.14395 268.6
[M+Na-2H]- 713.10477 260.2
[M]+ 692.12955 257.9
[M]- 692.13065 257.9
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.