CID 6477128

Nsc638114

Structural Information

Molecular Formula
C17H15FO2Se
SMILES
CCOC(=O)/C(=C/C1=CC(=CC=C1)F)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C17H15FO2Se/c1-2-20-17(19)16(21-15-9-4-3-5-10-15)12-13-7-6-8-14(18)11-13/h3-12H,2H2,1H3/b16-12-
InChIKey
RISRKKKJYUFOPE-VBKFSLOCSA-N
Compound name
ethyl (Z)-3-(3-fluorophenyl)-2-phenylselanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.02213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02941 178.5
[M+Na]+ 373.01135 183.9
[M-H]- 349.01485 182.7
[M+NH4]+ 368.05595 193.1
[M+K]+ 388.98529 179.2
[M+H-H2O]+ 333.01939 168.9
[M+HCOO]- 395.02033 198.6
[M+CH3COO]- 409.03598 202.8
[M+Na-2H]- 370.99680 179.2
[M]+ 350.02158 178.2
[M]- 350.02268 178.2
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.