CID 2778285

Methyltris(4-chlorophenyl)phosphonium iodide

Structural Information

Molecular Formula
C19H15Cl3P
SMILES
C[P+](C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15Cl3P/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19/h2-13H,1H3/q+1
InChIKey
ITPUYOMXIFNXBE-UHFFFAOYSA-N
Compound name
tris(4-chlorophenyl)-methylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

378.9977 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.00498 186.3
[M+Na]+ 401.98692 195.3
[M-H]- 377.99042 192.9
[M+NH4]+ 397.03152 199.7
[M+K]+ 417.96086 181.8
[M+H-H2O]+ 361.99496 179.7
[M+HCOO]- 423.99590 197.7
[M+CH3COO]- 438.01155 209.9
[M+Na-2H]- 399.97237 188.2
[M]+ 378.99715 189.2
[M]- 378.99825 189.2
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

patents stripe