CID 3015044

19186-97-1

Structural Information

Molecular Formula
C15H24Br9O4P
SMILES
C(C(CBr)(CBr)CBr)OP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr
InChI
InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2
InChIKey
BHYQWBKCXBXPKM-UHFFFAOYSA-N
Compound name
tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3973
Patents

1009.40625 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1010.4135 169.8
[M+Na]+ 1032.3955 169.8
[M+NH4]+ 1027.4401 169.8
[M+K]+ 1048.3694 169.8
[M-H]- 1008.3990 169.8
[M+Na-2H]- 1030.3809 169.8
[M]+ 1009.4057 169.8
[M]- 1009.4068 169.8
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