CID 6477118

Nsc637154

Structural Information

Molecular Formula
C15H20BrO5P
SMILES
CCOC(=O)/C(=C/C1=CC=C(C=C1)Br)/P(=O)(OCC)OCC
InChI
InChI=1S/C15H20BrO5P/c1-4-19-15(17)14(22(18,20-5-2)21-6-3)11-12-7-9-13(16)10-8-12/h7-11H,4-6H2,1-3H3/b14-11-
InChIKey
JNOFNBHZTWSDKE-KAMYIIQDSA-N
Compound name
ethyl (Z)-3-(4-bromophenyl)-2-diethoxyphosphorylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.02316 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.03044 190.4
[M+Na]+ 413.01238 199.0
[M-H]- 389.01588 194.7
[M+NH4]+ 408.05698 206.0
[M+K]+ 428.98632 188.6
[M+H-H2O]+ 373.02042 186.8
[M+HCOO]- 435.02136 212.9
[M+CH3COO]- 449.03701 213.9
[M+Na-2H]- 410.99783 190.1
[M]+ 390.02261 215.1
[M]- 390.02371 215.1
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.