CID 382493

Nsc670099

Structural Information

Molecular Formula
C12H20F6NO5P
SMILES
CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H20F6NO5P/c1-6-22-9(20)19-10(11(13,14)15,12(16,17)18)25(21,23-7(2)3)24-8(4)5/h7-8H,6H2,1-5H3,(H,19,20)
InChIKey
XQJCWEVWMDLRKO-UHFFFAOYSA-N
Compound name
ethyl N-[2-di(propan-2-yloxy)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

403.09833 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.10561 177.1
[M+Na]+ 426.08755 185.5
[M-H]- 402.09105 183.8
[M+NH4]+ 421.13215 187.7
[M+K]+ 442.06149 183.5
[M+H-H2O]+ 386.09559 166.7
[M+HCOO]- 448.09653 191.1
[M+CH3COO]- 462.11218 223.1
[M+Na-2H]- 424.07300 170.8
[M]+ 403.09778 174.6
[M]- 403.09888 174.6
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.