CID 4290675

(4-chlorophenoxymethyl)-triphenylphosphonium chloride

Structural Information

Molecular Formula
C25H21ClOP
SMILES
C1=CC=C(C=C1)[P+](COC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21ClOP/c26-21-16-18-22(19-17-21)27-20-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
InChIKey
ODOVKIOMENZEGZ-UHFFFAOYSA-N
Compound name
(4-chlorophenoxy)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.10187 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.10915 204.8
[M+Na]+ 426.09109 209.6
[M-H]- 402.09459 214.9
[M+NH4]+ 421.13569 214.9
[M+K]+ 442.06503 196.4
[M+H-H2O]+ 386.09913 194.1
[M+HCOO]- 448.10007 225.5
[M+CH3COO]- 462.11572 214.6
[M+Na-2H]- 424.07654 208.1
[M]+ 403.10132 204.9
[M]- 403.10242 204.9
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.