CID 80421214

2228156-49-6

Structural Information

Molecular Formula
C8H12F3NO3
SMILES
C1COCC(N1CC(F)(F)F)CC(=O)O
InChI
InChI=1S/C8H12F3NO3/c9-8(10,11)5-12-1-2-15-4-6(12)3-7(13)14/h6H,1-5H2,(H,13,14)
InChIKey
QBOZYSGEZFWHHG-UHFFFAOYSA-N
Compound name
2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07693 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08421 146.1
[M+Na]+ 250.06615 151.9
[M-H]- 226.06965 142.9
[M+NH4]+ 245.11075 160.6
[M+K]+ 266.04009 151.3
[M+H-H2O]+ 210.07419 137.5
[M+HCOO]- 272.07513 158.0
[M+CH3COO]- 286.09078 184.6
[M+Na-2H]- 248.05160 149.4
[M]+ 227.07638 139.8
[M]- 227.07748 139.8
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.