CID 198226

Sk&f 41407

Structural Information

Molecular Formula
C11H14F3NO
SMILES
CC(C(C1=CC(=CC=C1)C(F)(F)F)OC)N
InChI
InChI=1S/C11H14F3NO/c1-7(15)10(16-2)8-4-3-5-9(6-8)11(12,13)14/h3-7,10H,15H2,1-2H3
InChIKey
XVTCCRDDVUAFBZ-UHFFFAOYSA-N
Compound name
1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.10275 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.110026 149.4
[M+Na]+ 256.091968 156.2
[M-H]- 232.095474 148.6
[M+NH4]+ 251.136573 166.8
[M+K]+ 272.065908 154.0
[M+H-H2O]+ 216.100010 141.0
[M+HCOO]- 278.100951 167.1
[M+CH3COO]- 292.116601 194.4
[M+Na-2H]- 254.077416 151.4
[M]+ 233.10220142 144.6
[M]- 233.10329858 144.6
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