CID 175685352

1,2-dichloropropyl (3,3-dichloropropyl) hydrogen phosphate

Structural Information

Molecular Formula
C6H11Cl4O4P
SMILES
CC(C(OP(=O)(O)OCCC(Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H11Cl4O4P/c1-4(7)6(10)14-15(11,12)13-3-2-5(8)9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKey
KYPWIYJQYOZVBY-UHFFFAOYSA-N
Compound name
1,2-dichloropropyl 3,3-dichloropropyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.91492 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.92220 152.5
[M+Na]+ 340.90414 160.0
[M-H]- 316.90764 149.0
[M+NH4]+ 335.94874 168.2
[M+K]+ 356.87808 156.1
[M+H-H2O]+ 300.91218 150.4
[M+HCOO]- 362.91312 157.0
[M+CH3COO]- 376.92877 200.8
[M+Na-2H]- 338.88959 151.3
[M]+ 317.91437 158.1
[M]- 317.91547 158.1
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

No patent data available for this compound.