CID 175686326

3-bromo-2-(bromomethyl)-2-(chloromethyl)propyl (1,3-dichloropropan-2-yl) hydrogen phosphate

Structural Information

Molecular Formula
C8H14Br2Cl3O4P
SMILES
C(C(CCl)OP(=O)(O)OCC(CCl)(CBr)CBr)Cl
InChI
InChI=1S/C8H14Br2Cl3O4P/c9-3-8(4-10,5-13)6-16-18(14,15)17-7(1-11)2-12/h7H,1-6H2,(H,14,15)
InChIKey
ZDRVLCRFTJGCCE-UHFFFAOYSA-N
Compound name
[2,2-bis(bromomethyl)-3-chloropropyl] 1,3-dichloropropan-2-yl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.8062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.81348 185.8
[M+Na]+ 490.79542 197.3
[M-H]- 466.79892 187.4
[M+NH4]+ 485.84002 200.8
[M+K]+ 506.76936 177.6
[M+H-H2O]+ 450.80346 193.0
[M+HCOO]- 512.80440 189.4
[M+CH3COO]- 526.82005 220.7
[M+Na-2H]- 488.78087 187.4
[M]+ 467.80565 222.9
[M]- 467.80675 222.9
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.