CID 6434817

Shell sd-3958

Structural Information

Molecular Formula
C11H19Cl2O6P
SMILES
CC(C)OP(=O)(OCC(CCl)Cl)O/C(=C\C(=O)OC)/C
InChI
InChI=1S/C11H19Cl2O6P/c1-8(2)18-20(15,17-7-10(13)6-12)19-9(3)5-11(14)16-4/h5,8,10H,6-7H2,1-4H3/b9-5-
InChIKey
IXHNRIFZCJCUQN-UITAMQMPSA-N
Compound name
methyl (Z)-3-[2,3-dichloropropoxy(propan-2-yloxy)phosphoryl]oxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.02963 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.03691 168.0
[M+Na]+ 371.01885 174.7
[M-H]- 347.02235 167.3
[M+NH4]+ 366.06345 183.6
[M+K]+ 386.99279 172.7
[M+H-H2O]+ 331.02689 163.2
[M+HCOO]- 393.02783 183.2
[M+CH3COO]- 407.04348 208.6
[M+Na-2H]- 369.00430 166.0
[M]+ 348.02908 179.6
[M]- 348.03018 179.6
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.