CID 3083777

(1-methyl-2-oxo-2-phenylethyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C27H24OP
SMILES
CC(C(=O)C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H24OP/c1-22(27(28)23-14-6-2-7-15-23)29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22H,1H3/q+1
InChIKey
GMFWRKIIXJXFOG-UHFFFAOYSA-N
Compound name
(1-oxo-1-phenylpropan-2-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

395.15646 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.16374 205.5
[M+Na]+ 418.14568 207.3
[M-H]- 394.14918 215.3
[M+NH4]+ 413.19028 214.3
[M+K]+ 434.11962 195.6
[M+H-H2O]+ 378.15372 194.4
[M+HCOO]- 440.15466 228.2
[M+CH3COO]- 454.17031 216.3
[M+Na-2H]- 416.13113 206.8
[M]+ 395.15591 201.4
[M]- 395.15701 201.4
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