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 191.7
[M+Na]+ 391.08632 195.7
[M-H]- 367.08982 199.1
[M+NH4]+ 386.13092 203.5
[M+K]+ 407.06026 183.3
[M+H-H2O]+ 351.09436 183.0
[M+HCOO]- 413.09530 213.5
[M+CH3COO]- 427.11095 209.3
[M+Na-2H]- 389.07177 195.8
[M]+ 368.09655 191.3
[M]- 368.09765 191.3
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.