CID 498169

(2-methoxy-ethyl)-triphenyl-phosphonium, bromide

Structural Information

Molecular Formula
C21H22OP
SMILES
COCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22OP/c1-22-17-18-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/q+1
InChIKey
SUXZPAKTBJBUFX-UHFFFAOYSA-N
Compound name
2-methoxyethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

321.14084 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14812 185.3
[M+Na]+ 344.13006 189.3
[M-H]- 320.13356 192.9
[M+NH4]+ 339.17466 198.5
[M+K]+ 360.10400 178.7
[M+H-H2O]+ 304.13810 176.0
[M+HCOO]- 366.13904 211.3
[M+CH3COO]- 380.15469 202.1
[M+Na-2H]- 342.11551 190.0
[M]+ 321.14029 184.3
[M]- 321.14139 184.3
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