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 209.3
[M+Na]+ 548.97182 218.1
[M-H]- 524.97532 215.1
[M+NH4]+ 544.01642 217.7
[M+K]+ 564.94576 210.5
[M+H-H2O]+ 508.97986 200.6
[M+HCOO]- 570.98080 213.8
[M+CH3COO]- 584.99645 240.9
[M+Na-2H]- 546.95727 203.7
[M]+ 525.98205 216.7
[M]- 525.98315 216.7
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.