CID 3634575

86521-52-0

Structural Information

Molecular Formula
C28H23Cl2NOP
SMILES
CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H22Cl2NOP/c1-21-17-19-22(20-18-21)27(32)31-28(26(29)30)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3/p+1
InChIKey
YSCMBWANTMOVIW-UHFFFAOYSA-O
Compound name
[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

490.08942 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.09670 218.7
[M+Na]+ 513.07864 237.1
[M+NH4]+ 508.12324 227.9
[M+K]+ 529.05258 226.5
[M-H]- 489.08214 229.0
[M+Na-2H]- 511.06409 231.9
[M]+ 490.08887 225.5
[M]- 490.08997 225.5
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

No patent data available for this compound.