CID 110966

Tris(2-bromo-1-(chloromethyl)ethyl) phosphate

Structural Information

Molecular Formula
C9H15Br3Cl3O4P
SMILES
C(C(CBr)OP(=O)(OC(CCl)CBr)OC(CCl)CBr)Cl
InChI
InChI=1S/C9H15Br3Cl3O4P/c10-1-7(4-13)17-20(16,18-8(2-11)5-14)19-9(3-12)6-15/h7-9H,1-6H2
InChIKey
PJNLXXROLSYGPE-UHFFFAOYSA-N
Compound name
tris(1-bromo-3-chloropropan-2-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

559.73236 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.73964 192.0
[M+Na]+ 582.72158 200.7
[M-H]- 558.72508 194.5
[M+NH4]+ 577.76618 203.5
[M+K]+ 598.69552 181.7
[M+H-H2O]+ 542.72962 204.7
[M+HCOO]- 604.73056 193.2
[M+CH3COO]- 618.74621 236.7
[M+Na-2H]- 580.70703 190.4
[M]+ 559.73181 234.5
[M]- 559.73291 234.5
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