CID 4311939

23308-83-0

Structural Information

Molecular Formula
C25H21NO2P
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC=C2[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21NO2P/c27-26(28)25-19-11-10-12-21(25)20-29(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20H2/q+1
InChIKey
DWLFWZIJRJBNDY-UHFFFAOYSA-N
Compound name
(2-nitrophenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

398.13098 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13826 203.1
[M+Na]+ 421.12020 204.7
[M-H]- 397.12370 213.2
[M+NH4]+ 416.16480 211.0
[M+K]+ 437.09414 189.3
[M+H-H2O]+ 381.12824 196.1
[M+HCOO]- 443.12918 228.5
[M+CH3COO]- 457.14483 211.1
[M+Na-2H]- 419.10565 209.0
[M]+ 398.13043 198.0
[M]- 398.13153 198.0
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