CID 3452768

Cyclobutyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C22H22P
SMILES
C1CC(C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H22P/c1-4-11-19(12-5-1)23(22-17-10-18-22,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2/q+1
InChIKey
QVEATIDEAUFJCD-UHFFFAOYSA-N
Compound name
cyclobutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

317.1459 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15318 175.9
[M+Na]+ 340.13512 178.8
[M-H]- 316.13862 185.7
[M+NH4]+ 335.17972 183.0
[M+K]+ 356.10906 171.0
[M+H-H2O]+ 300.14316 161.4
[M+HCOO]- 362.14410 199.7
[M+CH3COO]- 376.15975 204.3
[M+Na-2H]- 338.12057 180.1
[M]+ 317.14535 179.7
[M]- 317.14645 179.7
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