CID 218565

Diethyl 1,2,2,2-tetrabromoethyl phosphate

Structural Information

Molecular Formula
C6H11Br4O4P
SMILES
CCOP(=O)(OCC)OC(C(Br)(Br)Br)Br
InChI
InChI=1S/C6H11Br4O4P/c1-3-12-15(11,13-4-2)14-5(7)6(8,9)10/h5H,3-4H2,1-2H3
InChIKey
XSDXJVWICNJMGI-UHFFFAOYSA-N
Compound name
diethyl 1,2,2,2-tetrabromoethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

493.71286 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.72014 181.0
[M+Na]+ 516.70208 187.1
[M-H]- 492.70558 183.4
[M+NH4]+ 511.74668 190.5
[M+K]+ 532.67602 172.9
[M+H-H2O]+ 476.71012 196.9
[M+HCOO]- 538.71106 186.3
[M+CH3COO]- 552.72671 238.1
[M+Na-2H]- 514.68753 180.6
[M]+ 493.71231 220.1
[M]- 493.71341 220.1
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

patents stripe