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 176.7
[M+Na]+ 374.05262 185.5
[M-H]- 350.05612 185.2
[M+NH4]+ 369.09722 193.7
[M+K]+ 390.02656 174.2
[M+H-H2O]+ 334.06066 173.5
[M+HCOO]- 396.06160 197.0
[M+CH3COO]- 410.07725 215.2
[M+Na-2H]- 372.03807 180.0
[M]+ 351.06285 196.2
[M]- 351.06395 196.2
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