CID 83853727

3-(1,1-difluoroethyl)morpholine

Structural Information

Molecular Formula
C6H11F2NO
SMILES
CC(C1COCCN1)(F)F
InChI
InChI=1S/C6H11F2NO/c1-6(7,8)5-4-10-3-2-9-5/h5,9H,2-4H2,1H3
InChIKey
IUILFMGWOMMQSM-UHFFFAOYSA-N
Compound name
3-(1,1-difluoroethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.08087 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.088146 129.6
[M+Na]+ 174.070088 135.3
[M-H]- 150.073594 127.8
[M+NH4]+ 169.114693 147.2
[M+K]+ 190.044028 134.9
[M+H-H2O]+ 134.078130 122.4
[M+HCOO]- 196.079071 143.6
[M+CH3COO]- 210.094721 171.1
[M+Na-2H]- 172.055536 136.3
[M]+ 151.08032142 121.9
[M]- 151.08141858 121.9
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

No patent data available for this compound.