CID 94943

4576-56-1

Structural Information

Molecular Formula

C₁₈H₁₂Cl₃OP

SMILES

C1=CC(=CC=C1P(=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H12Cl3OP/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H

InChIKey

GJBIMMKVOGMMLP-UHFFFAOYSA-N

Compound name

1-bis(4-chlorophenyl)phosphoryl-4-chlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 379.96915 Da
Monoisotopic Mass: 5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.97643	180.9
[M+Na]+	402.95837	191.3
[M-H]-	378.96187	188.0
[M+NH4]+	398.00297	194.8
[M+K]+	418.93231	182.9
[M+H-H2O]+	362.96641	171.9
[M+HCOO]-	424.96735	193.6
[M+CH3COO]-	438.98300	214.4
[M+Na-2H]-	400.94382	181.5
[M]+	379.96860	185.4
[M]-	379.96970	185.4

Literature stripe

literature stripe

Patent stripe

patents stripe