CID 6372861

(benzyloxycarbonylmethyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C27H24O2P
SMILES
C1=CC=C(C=C1)COC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H24O2P/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2/q+1
InChIKey
LFNHHHWATWJWMO-UHFFFAOYSA-N
Compound name
(2-oxo-2-phenylmethoxyethyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

411.1514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15868 210.1
[M+Na]+ 434.14062 212.1
[M-H]- 410.14412 219.8
[M+NH4]+ 429.18522 218.3
[M+K]+ 450.11456 200.5
[M+H-H2O]+ 394.14866 198.5
[M+HCOO]- 456.14960 234.0
[M+CH3COO]- 470.16525 216.9
[M+Na-2H]- 432.12607 212.5
[M]+ 411.15085 207.6
[M]- 411.15195 207.6
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