CID 2723784

Isopropyltriphenylphosphonium iodide

Structural Information

Molecular Formula
C21H22P
SMILES
CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22P/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3/q+1
InChIKey
PXIMQGSMXJFQOF-UHFFFAOYSA-N
Compound name
triphenyl(propan-2-yl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1951
Patents

305.1459 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15318 180.9
[M+Na]+ 328.13512 184.8
[M-H]- 304.13862 188.6
[M+NH4]+ 323.17972 194.8
[M+K]+ 344.10906 174.1
[M+H-H2O]+ 288.14316 172.2
[M+HCOO]- 350.14410 205.8
[M+CH3COO]- 364.15975 200.8
[M+Na-2H]- 326.12057 184.5
[M]+ 305.14535 178.1
[M]- 305.14645 178.1
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