CID 5905635

Nsc638121

Structural Information

Molecular Formula
C17H15BrO2Se
SMILES
CCOC(=O)/C(=C/C1=CC=C(C=C1)Br)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C17H15BrO2Se/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
ZLXHRDAVVWEJCN-VBKFSLOCSA-N
Compound name
ethyl (Z)-3-(4-bromophenyl)-2-phenylselanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.94205 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.94933 186.2
[M+Na]+ 432.93127 194.3
[M-H]- 408.93477 194.0
[M+NH4]+ 427.97587 202.2
[M+K]+ 448.90521 181.9
[M+H-H2O]+ 392.93931 183.9
[M+HCOO]- 454.94025 204.7
[M+CH3COO]- 468.95590 208.8
[M+Na-2H]- 430.91672 188.4
[M]+ 409.94150 205.5
[M]- 409.94260 205.5
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.