CID 6434811

64011-79-6

Structural Information

Molecular Formula
C12H14ClO6P
SMILES
C/C(=C/C(=O)OC1=CC=C(C=C1)Cl)/OP(=O)(OC)OC
InChI
InChI=1S/C12H14ClO6P/c1-9(19-20(15,16-2)17-3)8-12(14)18-11-6-4-10(13)5-7-11/h4-8H,1-3H3/b9-8-
InChIKey
VSELFEBDZSMWKO-HJWRWDBZSA-N
Compound name
(4-chlorophenyl) (Z)-3-dimethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.02167 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02895 164.3
[M+Na]+ 343.01089 172.1
[M-H]- 319.01439 167.2
[M+NH4]+ 338.05549 180.2
[M+K]+ 358.98483 170.6
[M+H-H2O]+ 303.01893 156.9
[M+HCOO]- 365.01987 187.1
[M+CH3COO]- 379.03552 202.5
[M+Na-2H]- 340.99634 165.7
[M]+ 320.02112 174.0
[M]- 320.02222 174.0
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.