CID 115793

2-chloropropyl 2,2-dichloroethenyl ethyl phosphate

Structural Information

Molecular Formula
C7H12Cl3O4P
SMILES
CCOP(=O)(OCC(C)Cl)OC=C(Cl)Cl
InChI
InChI=1S/C7H12Cl3O4P/c1-3-12-15(11,13-4-6(2)8)14-5-7(9)10/h5-6H,3-4H2,1-2H3
InChIKey
GOHSLGACEPJJHI-UHFFFAOYSA-N
Compound name
2-chloropropyl 2,2-dichloroethenyl ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9539 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.96118 153.2
[M+Na]+ 318.94312 161.7
[M-H]- 294.94662 151.9
[M+NH4]+ 313.98772 170.9
[M+K]+ 334.91706 157.8
[M+H-H2O]+ 278.95116 149.6
[M+HCOO]- 340.95210 165.2
[M+CH3COO]- 354.96775 198.1
[M+Na-2H]- 316.92857 153.8
[M]+ 295.95335 161.9
[M]- 295.95445 161.9
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.