CID 3507856

142414-40-2

Structural Information

Molecular Formula
C21H18F3NOP
SMILES
C1=CC=C(C=C1)[P+](CNC(=O)C(F)(F)F)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H17F3NOP/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
CRMBNXSUWGUDRD-UHFFFAOYSA-O
Compound name
triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

388.10782 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11510 194.6
[M+Na]+ 411.09704 198.4
[M-H]- 387.10054 198.3
[M+NH4]+ 406.14164 204.5
[M+K]+ 427.07098 186.9
[M+H-H2O]+ 371.10508 182.8
[M+HCOO]- 433.10602 216.0
[M+CH3COO]- 447.12167 213.3
[M+Na-2H]- 409.08249 198.5
[M]+ 388.10727 187.8
[M]- 388.10837 187.8
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.