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

151
Patents

379.96915 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.