CID 6052344

Nsc638107

Structural Information

Molecular Formula
C17H16O2Se
SMILES
CCOC(=O)/C(=C/C1=CC=CC=C1)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C17H16O2Se/c1-2-19-17(18)16(13-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13-
InChIKey
GQEFNJRCCNVLOD-SSZFMOIBSA-N
Compound name
ethyl (Z)-3-phenyl-2-phenylselanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.03156 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.03884 175.9
[M+Na]+ 355.02078 180.4
[M-H]- 331.02428 181.2
[M+NH4]+ 350.06538 191.0
[M+K]+ 370.99472 176.0
[M+H-H2O]+ 315.02882 167.2
[M+HCOO]- 377.02976 197.1
[M+CH3COO]- 391.04541 199.1
[M+Na-2H]- 353.00623 178.0
[M]+ 332.03101 176.3
[M]- 332.03211 176.3
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.