CID 109052

61090-86-6

Structural Information

Molecular Formula
C5H8Br2Cl3O2P
SMILES
C(C(CCl)(CBr)CBr)OP(=O)(Cl)Cl
InChI
InChI=1S/C5H8Br2Cl3O2P/c6-1-5(2-7,3-8)4-12-13(9,10)11/h1-4H2
InChIKey
DGNNHZCRJJDYIF-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-2-(chloromethyl)-3-dichlorophosphoryloxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

393.7694 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.77668 171.1
[M+Na]+ 416.75862 184.7
[M-H]- 392.76212 174.1
[M+NH4]+ 411.80322 189.1
[M+K]+ 432.73256 165.0
[M+H-H2O]+ 376.76666 179.0
[M+HCOO]- 438.76760 177.0
[M+CH3COO]- 452.78325 212.9
[M+Na-2H]- 414.74407 174.9
[M]+ 393.76885 207.2
[M]- 393.76995 207.2
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

patents stripe