CID 188119

Bis(1,3-dichloro-2-propyl) phosphate

Structural Information

Molecular Formula
C6H11Cl4O4P
SMILES
C(C(CCl)OP(=O)(O)OC(CCl)CCl)Cl
InChI
InChI=1S/C6H11Cl4O4P/c7-1-5(2-8)13-15(11,12)14-6(3-9)4-10/h5-6H,1-4H2,(H,11,12)
InChIKey
NNKRUBFJSSBFSS-UHFFFAOYSA-N
Compound name
bis(1,3-dichloropropan-2-yl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

22
Patents

317.91492 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.92220 154.1
[M+Na]+ 340.90414 161.7
[M-H]- 316.90764 150.4
[M+NH4]+ 335.94874 169.8
[M+K]+ 356.87808 157.3
[M+H-H2O]+ 300.91218 151.6
[M+HCOO]- 362.91312 159.3
[M+CH3COO]- 376.92877 200.1
[M+Na-2H]- 338.88959 153.8
[M]+ 317.91437 160.1
[M]- 317.91547 160.1
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