CID 62910670

1-[3-bromo-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H11BrF3NO
SMILES
CC(C1=CC(=C(C=C1)OCC(F)(F)F)Br)N
InChI
InChI=1S/C10H11BrF3NO/c1-6(15)7-2-3-9(8(11)4-7)16-5-10(12,13)14/h2-4,6H,5,15H2,1H3
InChIKey
ODWKVJHNUPJCTA-UHFFFAOYSA-N
Compound name
1-[3-bromo-4-(2,2,2-trifluoroethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.99762 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00490 160.1
[M+Na]+ 319.98684 171.2
[M-H]- 295.99034 162.2
[M+NH4]+ 315.03144 178.7
[M+K]+ 335.96078 159.2
[M+H-H2O]+ 279.99488 157.1
[M+HCOO]- 341.99582 176.6
[M+CH3COO]- 356.01147 200.9
[M+Na-2H]- 317.97229 163.5
[M]+ 296.99707 174.4
[M]- 296.99817 174.4
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.