CID 38114

3549-17-5

Structural Information

Molecular Formula
C17H18F3NO
SMILES
COC(CNCC1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H18F3NO/c1-22-16(12-21-11-13-6-3-2-4-7-13)14-8-5-9-15(10-14)17(18,19)20/h2-10,16,21H,11-12H2,1H3
InChIKey
AVOUWNCXBIGLOP-UHFFFAOYSA-N
Compound name
N-benzyl-2-methoxy-2-[3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.13406 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14134 170.3
[M+Na]+ 332.12328 176.0
[M-H]- 308.12678 172.4
[M+NH4]+ 327.16788 184.4
[M+K]+ 348.09722 171.4
[M+H-H2O]+ 292.13132 159.6
[M+HCOO]- 354.13226 189.0
[M+CH3COO]- 368.14791 207.7
[M+Na-2H]- 330.10873 173.9
[M]+ 309.13351 166.9
[M]- 309.13461 166.9
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