CID 3073004

145430-05-3

Structural Information

Molecular Formula
C23H18F6NO3P
SMILES
C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H18F6NO3P/c24-22(25,26)21(23(27,28)29,30-20(31)33-16-17-10-4-1-5-11-17)34(32,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,30,31)
InChIKey
GZYRPVGTNHFDCN-UHFFFAOYSA-N
Compound name
benzyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.09283 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.10011 202.8
[M+Na]+ 524.08205 206.7
[M+NH4]+ 519.12665 203.1
[M+K]+ 540.05599 203.1
[M-H]- 500.08555 197.8
[M+Na-2H]- 522.06750 205.7
[M]+ 501.09228 201.5
[M]- 501.09338 201.5
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.