CID 2733547

(4-chlorobenzyl)triphenylphosphonium chloride

Structural Information

Molecular Formula
C25H21ClP
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21ClP/c26-22-18-16-21(17-19-22)20-27(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
APCNUVQAZQVSLQ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

552
Patents

387.10693 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11421 201.4
[M+Na]+ 410.09615 206.5
[M-H]- 386.09965 211.5
[M+NH4]+ 405.14075 212.3
[M+K]+ 426.07009 192.6
[M+H-H2O]+ 370.10419 191.0
[M+HCOO]- 432.10513 222.0
[M+CH3COO]- 446.12078 212.7
[M+Na-2H]- 408.08160 204.6
[M]+ 387.10638 200.3
[M]- 387.10748 200.3
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