CID 368668

Nsc639786

Structural Information

Molecular Formula
C16H14O2Se2
SMILES
CC(=O)C1=CC=C(C=C1)[Se][Se]C2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C16H14O2Se2/c1-11(17)13-3-7-15(8-4-13)19-20-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
InChIKey
PBAVAVREAKMPQU-UHFFFAOYSA-N
Compound name
1-[4-[(4-acetylphenyl)diselanyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.93243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.93971 186.0
[M+Na]+ 420.92165 191.7
[M-H]- 396.92515 191.5
[M+NH4]+ 415.96625 200.9
[M+K]+ 436.89559 187.2
[M+H-H2O]+ 380.92969 177.0
[M+HCOO]- 442.93063 206.4
[M+CH3COO]- 456.94628 205.0
[M+Na-2H]- 418.90710 185.5
[M]+ 397.93188 187.4
[M]- 397.93298 187.4
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.