CID 218563

2,2-dibromovinyl diethyl phosphate

Structural Information

Molecular Formula
C6H11Br2O4P
SMILES
CCOP(=O)(OCC)OC=C(Br)Br
InChI
InChI=1S/C6H11Br2O4P/c1-3-10-13(9,11-4-2)12-5-6(7)8/h5H,3-4H2,1-2H3
InChIKey
LTETWZRANXQZHO-UHFFFAOYSA-N
Compound name
2,2-dibromoethenyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

335.87616 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.88344 164.1
[M+Na]+ 358.86538 174.3
[M-H]- 334.86888 167.1
[M+NH4]+ 353.90998 182.2
[M+K]+ 374.83932 159.1
[M+H-H2O]+ 318.87342 169.6
[M+HCOO]- 380.87436 182.2
[M+CH3COO]- 394.89001 207.0
[M+Na-2H]- 356.85083 167.2
[M]+ 335.87561 201.7
[M]- 335.87671 201.7
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