CID 2784112

Phosphonium, [1-(benzoylamino)-2-chloroethenyl]triphenyl-, chloride

Structural Information

Molecular Formula
C27H22ClNOP
SMILES
C1=CC=C(C=C1)C(=O)NC(=CCl)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H21ClNOP/c28-21-26(29-27(30)22-13-5-1-6-14-22)31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H/p+1
InChIKey
JXZHBUOWYJRBOQ-UHFFFAOYSA-O
Compound name
(1-benzamido-2-chloroethenyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

442.11276 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12004 212.5
[M+Na]+ 465.10198 214.6
[M-H]- 441.10548 222.0
[M+NH4]+ 460.14658 220.2
[M+K]+ 481.07592 201.0
[M+H-H2O]+ 425.11002 201.9
[M+HCOO]- 487.11096 232.1
[M+CH3COO]- 501.12661 222.1
[M+Na-2H]- 463.08743 214.3
[M]+ 442.11221 209.8
[M]- 442.11331 209.8
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.