CID 57024

Ethanamine, 2-((4-bromophenyl)(4-fluorophenyl)methoxy)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C17H19BrFNO
SMILES
CN(C)CCOC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H19BrFNO/c1-20(2)11-12-21-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKey
MXFIQCIFPRCZRD-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0634 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07068 173.6
[M+Na]+ 374.05262 177.1
[M+NH4]+ 369.09722 178.1
[M+K]+ 390.02656 175.4
[M-H]- 350.05612 176.0
[M+Na-2H]- 372.03807 178.4
[M]+ 351.06285 173.7
[M]- 351.06395 173.7
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.