CID 3073002

145430-03-1

Structural Information

Molecular Formula
C15H18F6NO5P
SMILES
CCOP(=O)(C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)OCC
InChI
InChI=1S/C15H18F6NO5P/c1-3-26-28(24,27-4-2)13(14(16,17)18,15(19,20)21)22-12(23)25-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,22,23)
InChIKey
WJTMPDAEODMROZ-UHFFFAOYSA-N
Compound name
benzyl N-(2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.08267 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.08995 196.5
[M+Na]+ 460.07189 201.7
[M-H]- 436.07539 190.7
[M+NH4]+ 455.11649 205.7
[M+K]+ 476.04583 200.1
[M+H-H2O]+ 420.07993 182.7
[M+HCOO]- 482.08087 212.6
[M+CH3COO]- 496.09652 226.0
[M+Na-2H]- 458.05734 198.9
[M]+ 437.08212 193.8
[M]- 437.08322 193.8
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.