CID 70874

Tris(4-chlorophenyl)phosphine

Structural Information

Molecular Formula
C18H12Cl3P
SMILES
C1=CC(=CC=C1P(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey
IQKSLJOIKWOGIZ-UHFFFAOYSA-N
Compound name
tris(4-chlorophenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1893
Patents

363.9742 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.98148 176.3
[M+Na]+ 386.96342 185.8
[M-H]- 362.96692 182.8
[M+NH4]+ 382.00802 190.6
[M+K]+ 402.93736 177.3
[M+H-H2O]+ 346.97146 167.3
[M+HCOO]- 408.97240 189.2
[M+CH3COO]- 422.98805 186.8
[M+Na-2H]- 384.94887 174.9
[M]+ 363.97365 180.1
[M]- 363.97475 180.1
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