CID 500022

(3-buten-1-yl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C22H22P
SMILES
C=CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H22P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2,4-18H,1,3,19H2/q+1
InChIKey
IFHNDGJLDIUUHL-UHFFFAOYSA-N
Compound name
but-3-enyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

317.1459 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15318 185.2
[M+Na]+ 340.13512 189.3
[M-H]- 316.13862 192.6
[M+NH4]+ 335.17972 198.6
[M+K]+ 356.10906 177.2
[M+H-H2O]+ 300.14316 176.1
[M+HCOO]- 362.14410 210.9
[M+CH3COO]- 376.15975 202.1
[M+Na-2H]- 338.12057 189.3
[M]+ 317.14535 182.6
[M]- 317.14645 182.6
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