CID 3756313

2-(4-(trifluoromethyl)phenyl)morpholine

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1COC(CN1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-15-5-6-16-10/h1-4,10,15H,5-7H2
InChIKey
OMFWOWNSVWSVBC-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

231.0871 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.094376 148.3
[M+Na]+ 254.076318 154.4
[M-H]- 230.079824 148.3
[M+NH4]+ 249.120923 162.5
[M+K]+ 270.050258 151.3
[M+H-H2O]+ 214.084360 138.5
[M+HCOO]- 276.085301 161.0
[M+CH3COO]- 290.100951 185.1
[M+Na-2H]- 252.061766 153.4
[M]+ 231.08655142 139.1
[M]- 231.08764858 139.1
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