CID 108842

59819-52-2

Structural Information

Molecular Formula
C8H6Cl5O3P
SMILES
C1=CC=C(C(=C1)OP(=O)(OCC(Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H6Cl5O3P/c9-6-3-1-2-4-7(6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2
InChIKey
ORLCYMQZIPSODD-UHFFFAOYSA-N
Compound name
1-chloro-2-[chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2034
Patents

355.84973 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.85701 165.7
[M+Na]+ 378.83895 174.8
[M-H]- 354.84245 164.7
[M+NH4]+ 373.88355 179.8
[M+K]+ 394.81289 170.1
[M+H-H2O]+ 338.84699 161.6
[M+HCOO]- 400.84793 166.8
[M+CH3COO]- 414.86358 207.1
[M+Na-2H]- 376.82440 167.0
[M]+ 355.84918 169.5
[M]- 355.85028 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe