CID 2733852

(4-bromobutyl)triphenylphosphanium bromide

Structural Information

Molecular Formula
C22H23BrP
SMILES
C1=CC=C(C=C1)[P+](CCCCBr)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H23BrP/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2/q+1
InChIKey
YLEXRTHICRYWDL-UHFFFAOYSA-N
Compound name
4-bromobutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

329
Patents

397.07208 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07936 207.6
[M+Na]+ 420.06130 214.2
[M-H]- 396.06480 217.0
[M+NH4]+ 415.10590 221.7
[M+K]+ 436.03524 195.7
[M+H-H2O]+ 380.06934 205.2
[M+HCOO]- 442.07028 230.0
[M+CH3COO]- 456.08593 211.4
[M+Na-2H]- 418.04675 211.3
[M]+ 397.07153 224.5
[M]- 397.07263 224.5
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