CID 208048

31599-69-6

Structural Information

Molecular Formula
C12H14F3NO
SMILES
CN1CCOC(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H14F3NO/c1-16-5-6-17-11(8-16)9-3-2-4-10(7-9)12(13,14)15/h2-4,7,11H,5-6,8H2,1H3
InChIKey
CQWGGHVJNLJNHM-UHFFFAOYSA-N
Compound name
4-methyl-2-[3-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10275 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.110026 152.7
[M+Na]+ 268.091968 159.8
[M-H]- 244.095474 154.3
[M+NH4]+ 263.136573 167.4
[M+K]+ 284.065908 157.4
[M+H-H2O]+ 228.100010 142.6
[M+HCOO]- 290.100951 166.6
[M+CH3COO]- 304.116601 191.9
[M+Na-2H]- 266.077416 157.0
[M]+ 245.10220142 146.1
[M]- 245.10329858 146.1
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

No patent data available for this compound.