CID 6437962

Shell sd-5030

Structural Information

Molecular Formula
C15H20ClO6P
SMILES
CCOP(=O)(OCC)O/C(=C/C(=O)OCC1=CC=C(C=C1)Cl)/C
InChI
InChI=1S/C15H20ClO6P/c1-4-20-23(18,21-5-2)22-12(3)10-15(17)19-11-13-6-8-14(16)9-7-13/h6-10H,4-5,11H2,1-3H3/b12-10+
InChIKey
SHXULRYOHAXOJS-ZRDIBKRKSA-N
Compound name
(4-chlorophenyl)methyl (E)-3-diethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0686 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07588 178.4
[M+Na]+ 385.05782 187.7
[M+NH4]+ 380.10242 182.5
[M+K]+ 401.03176 183.6
[M-H]- 361.06132 176.3
[M+Na-2H]- 383.04327 180.8
[M]+ 362.06805 179.0
[M]- 362.06915 179.0
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.