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]+ 246.11003 152.7
[M+Na]+ 268.09197 159.8
[M-H]- 244.09547 154.3
[M+NH4]+ 263.13657 167.4
[M+K]+ 284.06591 157.4
[M+H-H2O]+ 228.10001 142.6
[M+HCOO]- 290.10095 166.6
[M+CH3COO]- 304.11660 191.9
[M+Na-2H]- 266.07742 157.0
[M]+ 245.10220 146.1
[M]- 245.10330 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.