CID 3042250

N-(2-(3-trifluoromethylphenylsulfinyl)ethyl)morpholine hydrochloride

Structural Information

Molecular Formula
C13H16F3NO2S
SMILES
C1COCCN1CCS(=O)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H16F3NO2S/c14-13(15,16)11-2-1-3-12(10-11)20(18)9-6-17-4-7-19-8-5-17/h1-3,10H,4-9H2
InChIKey
KLCVWSFXUQYMAG-UHFFFAOYSA-N
Compound name
4-[2-[3-(trifluoromethyl)phenyl]sulfinylethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.0854 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09268 164.7
[M+Na]+ 330.07462 170.4
[M-H]- 306.07812 165.8
[M+NH4]+ 325.11922 177.0
[M+K]+ 346.04856 167.4
[M+H-H2O]+ 290.08266 154.4
[M+HCOO]- 352.08360 172.9
[M+CH3COO]- 366.09925 199.5
[M+Na-2H]- 328.06007 165.4
[M]+ 307.08485 160.5
[M]- 307.08595 160.5
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