CID 87987101

Phosphoric acid hydrogen bis(2-chloropropyl) ester

Structural Information

Molecular Formula
C6H13Cl2O4P
SMILES
CC(COP(=O)(O)OCC(C)Cl)Cl
InChI
InChI=1S/C6H13Cl2O4P/c1-5(7)3-11-13(9,10)12-4-6(2)8/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKey
UXEXPVAWQLGFAP-UHFFFAOYSA-N
Compound name
bis(2-chloropropyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

19
Patents

249.99286 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.000136 146.8
[M+Na]+ 272.982078 154.8
[M-H]- 248.985584 144.8
[M+NH4]+ 268.026683 165.5
[M+K]+ 288.956018 152.1
[M+H-H2O]+ 232.990120 142.7
[M+HCOO]- 294.991061 162.7
[M+CH3COO]- 309.006711 189.0
[M+Na-2H]- 270.967526 148.0
[M]+ 249.99231142 154.1
[M]- 249.99340858 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe