CID 494081

17730-93-7

Structural Information

Molecular Formula
C26H21NO3P
SMILES
C1=CC=C(C=C1)[P+](CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H21NO3P/c28-26(21-16-18-22(19-17-21)27(29)30)20-31(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
InChIKey
QRGSWGWWJFATQZ-UHFFFAOYSA-N
Compound name
[2-(4-nitrophenyl)-2-oxoethyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

426.12592 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13320 209.1
[M+Na]+ 449.11514 209.8
[M-H]- 425.11864 219.1
[M+NH4]+ 444.15974 215.6
[M+K]+ 465.08908 194.9
[M+H-H2O]+ 409.12318 201.9
[M+HCOO]- 471.12412 233.4
[M+CH3COO]- 485.13977 215.3
[M+Na-2H]- 447.10059 213.8
[M]+ 426.12537 204.2
[M]- 426.12647 204.2
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