CID 4061823

37057-64-0

Structural Information

Molecular Formula
C21H18Cl3NOP
SMILES
C1=CC=C(C=C1)[P+](CNC(=O)C(Cl)(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H17Cl3NOP/c22-21(23,24)20(26)25-16-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/p+1
InChIKey
OGHISQGLKNESSK-UHFFFAOYSA-O
Compound name
triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

436.01917 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.02645 200.5
[M+Na]+ 459.00839 205.4
[M-H]- 435.01189 206.3
[M+NH4]+ 454.05299 210.5
[M+K]+ 474.98233 192.5
[M+H-H2O]+ 419.01643 193.3
[M+HCOO]- 481.01737 210.2
[M+CH3COO]- 495.03302 217.5
[M+Na-2H]- 456.99384 204.2
[M]+ 436.01862 202.0
[M]- 436.01972 202.0
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.