CID 3034268

Bis(2-chloropropyl) 2,3-dibromopropyl phosphate

Structural Information

Molecular Formula
C9H17Br2Cl2O4P
SMILES
CC(COP(=O)(OCC(C)Cl)OCC(CBr)Br)Cl
InChI
InChI=1S/C9H17Br2Cl2O4P/c1-7(12)4-15-18(14,16-5-8(2)13)17-6-9(11)3-10/h7-9H,3-6H2,1-2H3
InChIKey
OAWAXRZMMCPJOJ-UHFFFAOYSA-N
Compound name
bis(2-chloropropyl) 2,3-dibromopropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.86084 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.86812 172.9
[M+Na]+ 470.85006 165.9
[M+NH4]+ 465.89466 173.0
[M+K]+ 486.82400 172.7
[M-H]- 446.85356 170.3
[M+Na-2H]- 468.83551 170.5
[M]+ 447.86029 170.2
[M]- 447.86139 170.2
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.