CID 175686046

Bis(2,2,2-tribromoethyl) hydrogen phosphate

Structural Information

Molecular Formula
C4H5Br6O4P
SMILES
C(C(Br)(Br)Br)OP(=O)(O)OCC(Br)(Br)Br
InChI
InChI=1S/C4H5Br6O4P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2,(H,11,12)
InChIKey
VRQXEZUOKPFMCE-UHFFFAOYSA-N
Compound name
bis(2,2,2-tribromoethyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.50256 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.50984 198.2
[M+Na]+ 644.49178 207.9
[M-H]- 620.49528 201.4
[M+NH4]+ 639.53638 203.7
[M+K]+ 660.46572 196.2
[M+H-H2O]+ 604.49982 211.1
[M+HCOO]- 666.50076 200.2
[M+CH3COO]- 680.51641 250.5
[M+Na-2H]- 642.47723 194.9
[M]+ 621.50201 218.5
[M]- 621.50311 218.5
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.