CID 548448

2-chloroethylphosphoryl dichloride

Structural Information

Molecular Formula
C2H4Cl3O2P
SMILES
C(CCl)OP(=O)(Cl)Cl
InChI
InChI=1S/C2H4Cl3O2P/c3-1-2-7-8(4,5)6/h1-2H2
InChIKey
YRTAUZXAHQPFJV-UHFFFAOYSA-N
Compound name
1-chloro-2-dichlorophosphoryloxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

195.90144 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.90872 129.7
[M+Na]+ 218.89066 140.2
[M-H]- 194.89416 128.5
[M+NH4]+ 213.93526 151.1
[M+K]+ 234.86460 136.2
[M+H-H2O]+ 178.89870 126.7
[M+HCOO]- 240.89964 144.0
[M+CH3COO]- 254.91529 180.2
[M+Na-2H]- 216.87611 134.3
[M]+ 195.90089 135.2
[M]- 195.90199 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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