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

4038
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 162.3
[M+Na]+ 1032.3955 170.4
[M-H]- 1008.3990 165.1
[M+NH4]+ 1027.4401 361.6
[M+K]+ 1048.3694 163.9
[M+H-H2O]+ 992.40351 165.6
[M+HCOO]- 1054.4045 163.8
[M+CH3COO]- 1068.4201 254.2
[M+Na-2H]- 1030.3809 160.2
[M]+ 1009.4057 166.1
[M]- 1009.4068 166.1
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