CID 4691582

Triphenyl(2-pyridylmethyl)phosphonium chloride hydrochloride

Structural Information

Molecular Formula
C24H21NP
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC=N2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21NP/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21/h1-19H,20H2/q+1
InChIKey
KAYCSCULGYYNFT-UHFFFAOYSA-N
Compound name
triphenyl(pyridin-2-ylmethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

354.14117 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14845 194.0
[M+Na]+ 377.13039 197.5
[M-H]- 353.13389 202.7
[M+NH4]+ 372.17499 203.5
[M+K]+ 393.10433 185.0
[M+H-H2O]+ 337.13843 182.3
[M+HCOO]- 399.13937 218.0
[M+CH3COO]- 413.15502 207.8
[M+Na-2H]- 375.11584 199.1
[M]+ 354.14062 189.7
[M]- 354.14172 189.7
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