CID 71434765

117310-64-2

Structural Information

Molecular Formula
C24H19Cl4O3P
SMILES
CCCCC1=CC=CC=C1P(=O)(C(=O)C2=C(C=CC=C2Cl)Cl)C(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C24H19Cl4O3P/c1-2-3-8-15-9-4-5-14-20(15)32(31,23(29)21-16(25)10-6-11-17(21)26)24(30)22-18(27)12-7-13-19(22)28/h4-7,9-14H,2-3,8H2,1H3
InChIKey
CSKDCPLUTPDYBN-UHFFFAOYSA-N
Compound name
[(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.9826 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.98988 217.6
[M+Na]+ 548.97182 233.7
[M+NH4]+ 544.01642 224.0
[M+K]+ 564.94576 223.7
[M-H]- 524.97532 221.4
[M+Na-2H]- 546.95727 224.7
[M]+ 525.98205 222.3
[M]- 525.98315 222.3
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.