CID 5018110

Bis(2-chloroethyl) methylphosphonate

Structural Information

Molecular Formula
C5H11Cl2O3P
SMILES
CP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C5H11Cl2O3P/c1-11(8,9-4-2-6)10-5-3-7/h2-5H2,1H3
InChIKey
IPTIBLAAEZFRHZ-UHFFFAOYSA-N
Compound name
1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.98228 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98956 141.0
[M+Na]+ 242.97150 150.3
[M-H]- 218.97500 140.2
[M+NH4]+ 238.01610 161.7
[M+K]+ 258.94544 147.3
[M+H-H2O]+ 202.97954 136.5
[M+HCOO]- 264.98048 160.2
[M+CH3COO]- 278.99613 185.2
[M+Na-2H]- 240.95695 145.1
[M]+ 219.98173 149.4
[M]- 219.98283 149.4
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.