CID 4684632

(2-bromoethoxy)phosphonoyl dichloride

Structural Information

Molecular Formula
C2H4BrCl2O2P
SMILES
C(CBr)OP(=O)(Cl)Cl
InChI
InChI=1S/C2H4BrCl2O2P/c3-1-2-7-8(4,5)6/h1-2H2
InChIKey
NYKRTKYIPKOPLK-UHFFFAOYSA-N
Compound name
1-bromo-2-dichlorophosphoryloxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

937
Patents

239.85094 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.85822 140.7
[M+Na]+ 262.84016 155.2
[M-H]- 238.84366 143.3
[M+NH4]+ 257.88476 164.1
[M+K]+ 278.81410 142.3
[M+H-H2O]+ 222.84820 141.9
[M+HCOO]- 284.84914 157.9
[M+CH3COO]- 298.86479 184.7
[M+Na-2H]- 260.82561 146.9
[M]+ 239.85039 164.1
[M]- 239.85149 164.1
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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