CID 110563

68555-84-0

Structural Information

Molecular Formula
C27H51Br6O9P
SMILES
CCC(CO)(COCC(CBr)Br)COP(OCC(CC)(CO)COCC(CBr)Br)OCC(CC)(CO)COCC(CBr)Br
InChI
InChI=1S/C27H51Br6O9P/c1-4-25(13-34,16-37-10-22(31)7-28)19-40-43(41-20-26(5-2,14-35)17-38-11-23(32)8-29)42-21-27(6-3,15-36)18-39-12-24(33)9-30/h22-24,34-36H,4-21H2,1-3H3
InChIKey
JNXGQFWFUVSSJP-UHFFFAOYSA-N
Compound name
tris[2-(2,3-dibromopropoxymethyl)-2-(hydroxymethyl)butyl] phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1023.8371 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1024.8444 358.1
[M+Na]+ 1046.8263 358.1
[M-H]- 1022.8298 357.8
[M+NH4]+ 1041.8709 358.7
[M+K]+ 1062.8003 358.6
[M+H-H2O]+ 1006.8344 357.1
[M+HCOO]- 1068.8353 357.9
[M+CH3COO]- 1082.8510 256.1
[M+Na-2H]- 1044.8118 356.2
[M]+ 1023.8366 357.6
[M]- 1023.8376 357.6
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.