CID 420372

Nsc123172

Structural Information

Molecular Formula
C23H23BrO2P
SMILES
CCOC(=O)C(C)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br
InChI
InChI=1S/C23H23BrO2P/c1-3-26-22(25)23(2,24)27(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,3H2,1-2H3/q+1
InChIKey
DHOKKOOTMMLQOT-UHFFFAOYSA-N
Compound name
(2-bromo-1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.0619 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.06918 216.4
[M+Na]+ 464.05112 222.6
[M-H]- 440.05462 226.2
[M+NH4]+ 459.09572 228.7
[M+K]+ 480.02506 205.7
[M+H-H2O]+ 424.05916 214.0
[M+HCOO]- 486.06010 236.6
[M+CH3COO]- 500.07575 217.1
[M+Na-2H]- 462.03657 220.2
[M]+ 441.06135 234.3
[M]- 441.06245 234.3
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.