CID 20267719

Phosphoric acid hydrogen bis(1,3-dichloropropyl) ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

317.91492 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe