CID 4061681

142414-39-9

Structural Information

Molecular Formula
C21H20ClNOP
SMILES
C1=CC=C(C=C1)[P+](CNC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19ClNOP/c22-16-21(24)23-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/p+1
InChIKey
LPDODXJFQOXDAC-UHFFFAOYSA-O
Compound name
[(2-chloroacetyl)amino]methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

368.0971 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10438 187.4
[M+Na]+ 391.08632 204.5
[M+NH4]+ 386.13092 197.3
[M+K]+ 407.06026 195.1
[M-H]- 367.08982 196.2
[M+Na-2H]- 389.07177 200.2
[M]+ 368.09655 193.2
[M]- 368.09765 193.2
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.