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 184.7
[M+Na]+ 470.85006 195.3
[M-H]- 446.85356 187.6
[M+NH4]+ 465.89466 200.7
[M+K]+ 486.82400 177.2
[M+H-H2O]+ 430.85810 191.2
[M+HCOO]- 492.85904 193.1
[M+CH3COO]- 506.87469 222.0
[M+Na-2H]- 468.83551 184.4
[M]+ 447.86029 224.3
[M]- 447.86139 224.3
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.