CID 383544

133611-25-3

Structural Information

Molecular Formula
C11H18F6NO4P
SMILES
CCCCOP(=O)(C)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC
InChI
InChI=1S/C11H18F6NO4P/c1-4-6-7-22-23(3,20)9(10(12,13)14,11(15,16)17)18-8(19)21-5-2/h4-7H2,1-3H3,(H,18,19)
InChIKey
NOJKENVRJDSSCH-UHFFFAOYSA-N
Compound name
ethyl N-[2-[butoxy(methyl)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

373.08777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09505 182.2
[M+Na]+ 396.07699 178.6
[M-H]- 372.08049 173.8
[M+NH4]+ 391.12159 177.4
[M+K]+ 412.05093 187.2
[M+H-H2O]+ 356.08503 170.4
[M+HCOO]- 418.08597 189.5
[M+CH3COO]- 432.10162 216.7
[M+Na-2H]- 394.06244 183.8
[M]+ 373.08722 167.7
[M]- 373.08832 167.7
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.