CID 121600

Tris(3-chlorophenyl)phosphine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

600
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

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