CID 4311939

(2-nitro-benzyl)-triphenyl-phosphonium, bromide

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

20
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 195.5
[M+Na]+ 421.12020 215.1
[M+NH4]+ 416.16480 205.6
[M+K]+ 437.09414 207.4
[M-H]- 397.12370 207.8
[M+Na-2H]- 419.10565 210.5
[M]+ 398.13043 202.5
[M]- 398.13153 202.5
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