CID 3089990

55630-06-3

Structural Information

Molecular Formula
C22H19Cl2NOP
SMILES
CC(=O)NC(=C(Cl)Cl)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H18Cl2NOP/c1-17(26)25-22(21(23)24)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3/p+1
InChIKey
JNDGXRKGNNSLGL-UHFFFAOYSA-O
Compound name
(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.05814 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.06542 198.0
[M+Na]+ 437.04736 201.7
[M-H]- 413.05086 204.8
[M+NH4]+ 432.09196 208.4
[M+K]+ 453.02130 188.8
[M+H-H2O]+ 397.05540 190.4
[M+HCOO]- 459.05634 212.8
[M+CH3COO]- 473.07199 216.0
[M+Na-2H]- 435.03281 198.9
[M]+ 414.05759 198.0
[M]- 414.05869 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

No patent data available for this compound.