CID 54595323

5-(trifluoromethyl)morpholin-3-one

Structural Information

Molecular Formula
C5H6F3NO2
SMILES
C1C(NC(=O)CO1)C(F)(F)F
InChI
InChI=1S/C5H6F3NO2/c6-5(7,8)3-1-11-2-4(10)9-3/h3H,1-2H2,(H,9,10)
InChIKey
UEJBXPFOGSMAMB-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.03506 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04234 129.4
[M+Na]+ 192.02428 136.9
[M-H]- 168.02778 126.8
[M+NH4]+ 187.06888 146.4
[M+K]+ 207.99822 136.1
[M+H-H2O]+ 152.03232 121.5
[M+HCOO]- 214.03326 143.1
[M+CH3COO]- 228.04891 172.5
[M+Na-2H]- 190.00973 135.4
[M]+ 169.03451 121.2
[M]- 169.03561 121.2
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.