CID 4177668

(iodomethyl)triphenylphosphonium iodide

Structural Information

Molecular Formula
C19H17IP
SMILES
C1=CC=C(C=C1)[P+](CI)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17IP/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/q+1
InChIKey
YYFJLPYBGFLXOF-UHFFFAOYSA-N
Compound name
iodomethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

365
Patents

403.01126 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.01854 187.8
[M+Na]+ 426.00048 185.5
[M-H]- 402.00398 187.6
[M+NH4]+ 421.04508 197.1
[M+K]+ 441.97442 180.6
[M+H-H2O]+ 386.00852 175.2
[M+HCOO]- 448.00946 208.4
[M+CH3COO]- 462.02511 204.5
[M+Na-2H]- 423.98593 181.1
[M]+ 403.01071 182.1
[M]- 403.01181 182.1
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