CID 6367552

Nsc638110

Structural Information

Molecular Formula
C17H15ClO2Se
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)Cl)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C17H15ClO2Se/c1-2-20-17(19)16(21-15-6-4-3-5-7-15)12-13-8-10-14(18)11-9-13/h3-12H,2H2,1H3/b16-12+
InChIKey
CRXDRQVRIWCTPA-FOWTUZBSSA-N
Compound name
ethyl (E)-3-(4-chlorophenyl)-2-phenylselanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.99258 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.99986 181.3
[M+Na]+ 388.98180 187.6
[M-H]- 364.98530 186.8
[M+NH4]+ 384.02640 196.3
[M+K]+ 404.95574 181.4
[M+H-H2O]+ 348.98984 173.5
[M+HCOO]- 410.99078 198.0
[M+CH3COO]- 425.00643 203.8
[M+Na-2H]- 386.96725 182.3
[M]+ 365.99203 184.5
[M]- 365.99313 184.5
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

No patent data available for this compound.