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]+ 152.08815 129.6
[M+Na]+ 174.07009 135.3
[M-H]- 150.07359 127.8
[M+NH4]+ 169.11469 147.2
[M+K]+ 190.04403 134.9
[M+H-H2O]+ 134.07813 122.4
[M+HCOO]- 196.07907 143.6
[M+CH3COO]- 210.09472 171.1
[M+Na-2H]- 172.05554 136.3
[M]+ 151.08032 121.9
[M]- 151.08142 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.