CID 7209

Falone

Structural Information

Molecular Formula
C24H21Cl6O6P
SMILES
C1=CC(=C(C=C1Cl)Cl)OCCOP(OCCOC2=C(C=C(C=C2)Cl)Cl)OCCOC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H21Cl6O6P/c25-16-1-4-22(19(28)13-16)31-7-10-34-37(35-11-8-32-23-5-2-17(26)14-20(23)29)36-12-9-33-24-6-3-18(27)15-21(24)30/h1-6,13-15H,7-12H2
InChIKey
PIHCREFCPDWIPY-UHFFFAOYSA-N
Compound name
tris[2-(2,4-dichlorophenoxy)ethyl] phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2785
Patents

645.9207 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.92798 219.8
[M+Na]+ 668.90992 225.9
[M-H]- 644.91342 221.1
[M+NH4]+ 663.95452 223.2
[M+K]+ 684.88386 223.4
[M+H-H2O]+ 628.91796 211.5
[M+HCOO]- 690.91890 215.8
[M+CH3COO]- 704.93455 254.0
[M+Na-2H]- 666.89537 212.3
[M]+ 645.92015 229.4
[M]- 645.92125 229.4
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