CID 115797

64050-73-3

Structural Information

Molecular Formula
C12H20Br2Cl3O4P
SMILES
C1CC(C(CC1C(CBr)Br)Cl)OP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C12H20Br2Cl3O4P/c13-8-10(14)9-1-2-12(11(17)7-9)21-22(18,19-5-3-15)20-6-4-16/h9-12H,1-8H2
InChIKey
HITYRWFJUZXSNF-UHFFFAOYSA-N
Compound name
[2-chloro-4-(1,2-dibromoethyl)cyclohexyl] bis(2-chloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.85315 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.86043 195.8
[M+Na]+ 544.84237 205.8
[M-H]- 520.84587 199.9
[M+NH4]+ 539.88697 209.8
[M+K]+ 560.81631 187.3
[M+H-H2O]+ 504.85041 202.7
[M+HCOO]- 566.85135 198.7
[M+CH3COO]- 580.86700 229.9
[M+Na-2H]- 542.82782 194.4
[M]+ 521.85260 232.1
[M]- 521.85370 232.1
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.