CID 102889

2872-96-0

Structural Information

Molecular Formula
C9H9Br2Cl2O4P
SMILES
COP(=O)(OC1=CC=CC=C1)OC(C(Cl)(Cl)Br)Br
InChI
InChI=1S/C9H9Br2Cl2O4P/c1-15-18(14,17-8(10)9(11,12)13)16-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
OJZFHKHNSOWXOB-UHFFFAOYSA-N
Compound name
(1,2-dibromo-2,2-dichloroethyl) methyl phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.79822 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.80550 180.2
[M+Na]+ 462.78744 191.9
[M-H]- 438.79094 186.0
[M+NH4]+ 457.83204 196.3
[M+K]+ 478.76138 174.7
[M+H-H2O]+ 422.79548 187.2
[M+HCOO]- 484.79642 190.0
[M+CH3COO]- 498.81207 217.8
[M+Na-2H]- 460.77289 184.2
[M]+ 439.79767 218.9
[M]- 439.79877 218.9
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.