CID 129654212

Binaphthyl diselenide

Structural Information

Molecular Formula
C20H14Se2
SMILES
C1=CC=C2C(=C1)C=CC=C2C34C([Se]3)C5C([Se]5)C6=CC=CC=C46
InChI
InChI=1S/C20H14Se2/c1-2-8-13-12(6-1)7-5-11-15(13)20-16-10-4-3-9-14(16)17-18(21-17)19(20)22-20/h1-11,17-19H
InChIKey
NVCYZYYHSVXONX-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-3,6-diselenatetracyclo[6.4.0.02,4.05,7]dodeca-1(12),8,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

413.9426 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.94988 190.6
[M+Na]+ 436.93182 198.7
[M-H]- 412.93532 198.2
[M+NH4]+ 431.97642 199.1
[M+K]+ 452.90576 194.4
[M+H-H2O]+ 396.93986 181.7
[M+HCOO]- 458.94080 203.8
[M+CH3COO]- 472.95645 197.8
[M+Na-2H]- 434.91727 194.5
[M]+ 413.94205 193.1
[M]- 413.94315 193.1
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