CID 494184

(3-methylbut-2-enyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C23H24P
SMILES
CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C23H24P/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,19H2,1-2H3/q+1
InChIKey
COVAQAPAQWRPGO-UHFFFAOYSA-N
Compound name
3-methylbut-2-enyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

331.16156 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.168836 189.6
[M+Na]+ 354.150778 193.0
[M-H]- 330.154284 196.9
[M+NH4]+ 349.195383 202.4
[M+K]+ 370.124718 181.2
[M+H-H2O]+ 314.158820 180.5
[M+HCOO]- 376.159761 214.0
[M+CH3COO]- 390.175411 205.0
[M+Na-2H]- 352.136226 192.1
[M]+ 331.16101142 186.7
[M]- 331.16210858 186.7
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