CID 21732460

2,2,6,6-tetrafluoromorpholine

Structural Information

Molecular Formula
C4H5F4NO
SMILES
C1C(OC(CN1)(F)F)(F)F
InChI
InChI=1S/C4H5F4NO/c5-3(6)1-9-2-4(7,8)10-3/h9H,1-2H2
InChIKey
YACLYCZXSSPAII-UHFFFAOYSA-N
Compound name
2,2,6,6-tetrafluoromorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

159.03073 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.03801 123.6
[M+Na]+ 182.01995 132.6
[M-H]- 158.02345 120.3
[M+NH4]+ 177.06455 144.9
[M+K]+ 197.99389 132.0
[M+H-H2O]+ 142.02799 116.0
[M+HCOO]- 204.02893 137.7
[M+CH3COO]- 218.04458 171.0
[M+Na-2H]- 180.00540 131.1
[M]+ 159.03018 114.4
[M]- 159.03128 114.4
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