CID 102975

2,2-dichloroethenyl 2,3-dichloropropyl ethyl phosphate

Structural Information

Molecular Formula
C7H11Cl4O4P
SMILES
CCOP(=O)(OCC(CCl)Cl)OC=C(Cl)Cl
InChI
InChI=1S/C7H11Cl4O4P/c1-2-13-16(12,15-5-7(10)11)14-4-6(9)3-8/h5-6H,2-4H2,1H3
InChIKey
BHFXPVGYEDGFFF-UHFFFAOYSA-N
Compound name
2,2-dichloroethenyl 2,3-dichloropropyl ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.91492 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.92220 157.9
[M+Na]+ 352.90414 166.0
[M-H]- 328.90764 155.4
[M+NH4]+ 347.94874 173.8
[M+K]+ 368.87808 161.6
[M+H-H2O]+ 312.91218 155.0
[M+HCOO]- 374.91312 164.4
[M+CH3COO]- 388.92877 203.7
[M+Na-2H]- 350.88959 157.6
[M]+ 329.91437 165.3
[M]- 329.91547 165.3
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.