CID 499001

53142-03-3

Structural Information

Molecular Formula
C22H21BrP
SMILES
C1=CC=C(C=C1)[P+](CC=CCBr)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21BrP/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/h1-17H,18-19H2/q+1
InChIKey
GPHFPIRAVVLWMW-UHFFFAOYSA-N
Compound name
4-bromobut-2-enyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.05643 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06371 206.3
[M+Na]+ 418.04565 213.3
[M-H]- 394.04915 215.8
[M+NH4]+ 413.09025 220.6
[M+K]+ 434.01959 194.3
[M+H-H2O]+ 378.05369 204.1
[M+HCOO]- 440.05463 229.0
[M+CH3COO]- 454.07028 209.9
[M+Na-2H]- 416.03110 210.1
[M]+ 395.05588 222.5
[M]- 395.05698 222.5
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

No patent data available for this compound.