CID 119030882

3-(2,2-difluoroethyl)morpholine

Structural Information

Molecular Formula
C6H11F2NO
SMILES
C1COCC(N1)CC(F)F
InChI
InChI=1S/C6H11F2NO/c7-6(8)3-5-4-10-2-1-9-5/h5-6,9H,1-4H2
InChIKey
SLBJBODOVHXGPG-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

151.08087 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.088146 130.3
[M+Na]+ 174.070088 135.2
[M-H]- 150.073594 128.1
[M+NH4]+ 169.114693 147.6
[M+K]+ 190.044028 134.8
[M+H-H2O]+ 134.078130 122.3
[M+HCOO]- 196.079071 144.8
[M+CH3COO]- 210.094721 171.6
[M+Na-2H]- 172.055536 135.0
[M]+ 151.08032142 122.4
[M]- 151.08141858 122.4
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