CID 70085

Diethyl (trichloromethyl)phosphonate

Structural Information

Molecular Formula
C5H10Cl3O3P
SMILES
CCOP(=O)(C(Cl)(Cl)Cl)OCC
InChI
InChI=1S/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKey
RVAQSYWDOSHWGP-UHFFFAOYSA-N
Compound name
1-[ethoxy(trichloromethyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

164
Patents

253.94331 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.95059 146.5
[M+Na]+ 276.93253 156.3
[M-H]- 252.93603 145.5
[M+NH4]+ 271.97713 166.0
[M+K]+ 292.90647 152.5
[M+H-H2O]+ 236.94057 143.3
[M+HCOO]- 298.94151 158.8
[M+CH3COO]- 312.95716 190.4
[M+Na-2H]- 274.91798 150.9
[M]+ 253.94276 154.1
[M]- 253.94386 154.1
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.