CID 208779

33013-60-4

Structural Information

Molecular Formula
C33H25Cl2NO3P
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C(CC4=CC=C(C=C4)[N+](=O)[O-])(C(=O)C5=CC=C(C=C5)Cl)Cl
InChI
InChI=1S/C33H25Cl2NO3P/c34-27-20-18-26(19-21-27)32(37)33(35,24-25-16-22-28(23-17-25)36(38)39)40(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-23H,24H2/q+1
InChIKey
ITXMMQRTCUDNTM-UHFFFAOYSA-N
Compound name
[2-chloro-1-(4-chlorophenyl)-3-(4-nitrophenyl)-1-oxopropan-2-yl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.0949 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.10218 245.5
[M+Na]+ 607.08412 245.3
[M-H]- 583.08762 256.2
[M+NH4]+ 602.12872 246.4
[M+K]+ 623.05806 228.9
[M+H-H2O]+ 567.09216 236.9
[M+HCOO]- 629.09310 256.8
[M+CH3COO]- 643.10875 239.3
[M+Na-2H]- 605.06957 248.2
[M]+ 584.09435 244.3
[M]- 584.09545 244.3
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.