CID 12554036

4-(2,2,3,3-tetrafluoropropyl)morpholine

Structural Information

Molecular Formula
C7H11F4NO
SMILES
C1COCCN1CC(C(F)F)(F)F
InChI
InChI=1S/C7H11F4NO/c8-6(9)7(10,11)5-12-1-3-13-4-2-12/h6H,1-5H2
InChIKey
KAYYHMZDZXDPDJ-UHFFFAOYSA-N
Compound name
4-(2,2,3,3-tetrafluoropropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

201.07768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08496 139.5
[M+Na]+ 224.06690 145.0
[M-H]- 200.07040 136.1
[M+NH4]+ 219.11150 155.4
[M+K]+ 240.04084 144.7
[M+H-H2O]+ 184.07494 129.7
[M+HCOO]- 246.07588 151.4
[M+CH3COO]- 260.09153 183.4
[M+Na-2H]- 222.05235 143.6
[M]+ 201.07713 130.8
[M]- 201.07823 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe