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
1
Annotation Hits

0
References

70
Patents

331.16156 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16884 189.6
[M+Na]+ 354.15078 193.0
[M-H]- 330.15428 196.9
[M+NH4]+ 349.19538 202.4
[M+K]+ 370.12472 181.2
[M+H-H2O]+ 314.15882 180.5
[M+HCOO]- 376.15976 214.0
[M+CH3COO]- 390.17541 205.0
[M+Na-2H]- 352.13623 192.1
[M]+ 331.16101 186.7
[M]- 331.16211 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