CID 138986598

{[5-bromo-2-(trifluoromethoxy)phenyl]methyl}(methyl)amine hydrochloride

Structural Information

Molecular Formula

C₉H₉BrF₃NO

SMILES

CNCC1=C(C=CC(=C1)Br)OC(F)(F)F

InChI

InChI=1S/C9H9BrF3NO/c1-14-5-6-4-7(10)2-3-8(6)15-9(11,12)13/h2-4,14H,5H2,1H3

InChIKey

QISHUEDKWGIZHC-UHFFFAOYSA-N

Compound name

1-[5-bromo-2-(trifluoromethoxy)phenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.98196 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.989236	154.1
[M+Na]+	305.971178	165.9
[M-H]-	281.974684	156.9
[M+NH4]+	301.015783	173.6
[M+K]+	321.945118	154.1
[M+H-H2O]+	265.979220	151.3
[M+HCOO]-	327.980161	172.5
[M+CH3COO]-	341.995811	197.9
[M+Na-2H]-	303.956626	160.3
[M]+	282.98141142	169.7
[M]-	282.98250858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.