CID 13564478

Crl 41092

Structural Information

Molecular Formula
C13H16F3NO2
SMILES
CCN1CCOC(C1)(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C13H16F3NO2/c1-2-17-6-7-19-12(18,9-17)10-4-3-5-11(8-10)13(14,15)16/h3-5,8,18H,2,6-7,9H2,1H3
InChIKey
FAOKFSYZIRBGSS-UHFFFAOYSA-N
Compound name
4-ethyl-2-[3-(trifluoromethyl)phenyl]morpholin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

275.1133 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12058 160.5
[M+Na]+ 298.10252 167.6
[M-H]- 274.10602 160.9
[M+NH4]+ 293.14712 175.2
[M+K]+ 314.07646 165.1
[M+H-H2O]+ 258.11056 151.0
[M+HCOO]- 320.11150 172.8
[M+CH3COO]- 334.12715 193.9
[M+Na-2H]- 296.08797 165.1
[M]+ 275.11275 154.2
[M]- 275.11385 154.2
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

patents stripe