CID 2778966

808764-41-2

Structural Information

Molecular Formula
C8H9F3N2O2
SMILES
C1CC(CN(C1)C(=O)C(F)(F)F)N=C=O
InChI
InChI=1S/C8H9F3N2O2/c9-8(10,11)7(15)13-3-1-2-6(4-13)12-5-14/h6H,1-4H2
InChIKey
GWKIESDMPBYSIK-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(3-isocyanatopiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.06161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.068886 143.4
[M+Na]+ 245.050828 149.9
[M-H]- 221.054334 142.5
[M+NH4]+ 240.095433 160.5
[M+K]+ 261.024768 148.5
[M+H-H2O]+ 205.058870 134.3
[M+HCOO]- 267.059811 160.4
[M+CH3COO]- 281.075461 189.4
[M+Na-2H]- 243.036276 147.1
[M]+ 222.06106142 136.5
[M]- 222.06215858 136.5
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

patents stripe