CID 199940

2,2-dichlorovinyl methyl propyl phosphate

Structural Information

Molecular Formula
C6H11Cl2O4P
SMILES
CCCOP(=O)(OC)OC=C(Cl)Cl
InChI
InChI=1S/C6H11Cl2O4P/c1-3-4-11-13(9,10-2)12-5-6(7)8/h5H,3-4H2,1-2H3
InChIKey
OVQLXFADETUATG-UHFFFAOYSA-N
Compound name
2,2-dichloroethenyl methyl propyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

247.9772 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98448 145.6
[M+Na]+ 270.96642 154.7
[M-H]- 246.96992 145.0
[M+NH4]+ 266.01102 165.2
[M+K]+ 286.94036 151.8
[M+H-H2O]+ 230.97446 141.2
[M+HCOO]- 292.97540 164.2
[M+CH3COO]- 306.99105 189.2
[M+Na-2H]- 268.95187 148.5
[M]+ 247.97665 154.6
[M]- 247.97775 154.6
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