CID 383545

Nsc671963

Structural Information

Molecular Formula
C14H24F6NO5P
SMILES
CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C
InChI
InChI=1S/C14H24F6NO5P/c1-6-24-11(22)21-12(13(15,16)17,14(18,19)20)27(23,25-7-9(2)3)26-8-10(4)5/h9-10H,6-8H2,1-5H3,(H,21,22)
InChIKey
VNGFAWSISVJGAU-UHFFFAOYSA-N
Compound name
ethyl N-[2-[bis(2-methylpropoxy)phosphoryl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.12964 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13692 184.8
[M+Na]+ 454.11886 192.8
[M-H]- 430.12236 190.7
[M+NH4]+ 449.16346 195.3
[M+K]+ 470.09280 191.6
[M+H-H2O]+ 414.12690 174.0
[M+HCOO]- 476.12784 198.0
[M+CH3COO]- 490.14349 228.8
[M+Na-2H]- 452.10431 177.5
[M]+ 431.12909 182.1
[M]- 431.13019 182.1
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.