CID 83914474

3-(2,2,2-trifluoroethyl)morpholine

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1COCC(N1)CC(F)(F)F
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)3-5-4-11-2-1-10-5/h5,10H,1-4H2
InChIKey
FFPWJEVAPQZFFW-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

169.07144 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07872 132.6
[M+Na]+ 192.06066 138.4
[M-H]- 168.06416 129.4
[M+NH4]+ 187.10526 149.4
[M+K]+ 208.03460 137.5
[M+H-H2O]+ 152.06870 124.3
[M+HCOO]- 214.06964 145.5
[M+CH3COO]- 228.08529 173.2
[M+Na-2H]- 190.04611 138.6
[M]+ 169.07089 123.6
[M]- 169.07199 123.6
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

patents stripe