CID 383548

Nsc671966

Structural Information

Molecular Formula
C15H27F6N2O5P
SMILES
CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)N(C)C(C(C)C)P(=O)(OCC)OCC
InChI
InChI=1S/C15H27F6N2O5P/c1-7-26-12(24)22-13(14(16,17)18,15(19,20)21)23(6)11(10(4)5)29(25,27-8-2)28-9-3/h10-11H,7-9H2,1-6H3,(H,22,24)
InChIKey
NICZZHNMWYKNJJ-UHFFFAOYSA-N
Compound name
ethyl N-[2-[(1-diethoxyphosphoryl-2-methylpropyl)-methylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.1562 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.16348 195.1
[M+Na]+ 483.14542 205.3
[M-H]- 459.14892 204.6
[M+NH4]+ 478.19002 208.3
[M+K]+ 499.11936 204.0
[M+H-H2O]+ 443.15346 184.9
[M+HCOO]- 505.15440 205.2
[M+CH3COO]- 519.17005 239.8
[M+Na-2H]- 481.13087 188.1
[M]+ 460.15565 191.2
[M]- 460.15675 191.2
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.