CID 3084531

2-chloroethyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C20H19ClP
SMILES
C1=CC=C(C=C1)[P+](CCCl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H19ClP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/q+1
InChIKey
LRYDDXUFNWEWOY-UHFFFAOYSA-N
Compound name
2-chloroethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

325.09128 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09856 182.8
[M+Na]+ 348.08050 188.3
[M-H]- 324.08400 190.2
[M+NH4]+ 343.12510 196.8
[M+K]+ 364.05444 175.6
[M+H-H2O]+ 308.08854 174.5
[M+HCOO]- 370.08948 204.4
[M+CH3COO]- 384.10513 200.8
[M+Na-2H]- 346.06595 187.5
[M]+ 325.09073 182.7
[M]- 325.09183 182.7
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