CID 3826799

Tris(2,6-dichlorophenyl) phosphate

Structural Information

Molecular Formula
C18H9Cl6O4P
SMILES
C1=CC(=C(C(=C1)Cl)OP(=O)(OC2=C(C=CC=C2Cl)Cl)OC3=C(C=CC=C3Cl)Cl)Cl
InChI
InChI=1S/C18H9Cl6O4P/c19-10-4-1-5-11(20)16(10)26-29(25,27-17-12(21)6-2-7-13(17)22)28-18-14(23)8-3-9-15(18)24/h1-9H
InChIKey
QBECVUCYFZIDKP-UHFFFAOYSA-N
Compound name
tris(2,6-dichlorophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

529.837 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.84428 200.7
[M+Na]+ 552.82622 210.0
[M-H]- 528.82972 202.6
[M+NH4]+ 547.87082 208.0
[M+K]+ 568.80016 206.3
[M+H-H2O]+ 512.83426 193.2
[M+HCOO]- 574.83520 197.1
[M+CH3COO]- 588.85085 236.5
[M+Na-2H]- 550.81167 196.2
[M]+ 529.83645 205.4
[M]- 529.83755 205.4
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