CID 65484999

1-(2-aminoethoxy)-4-bromo-2-(trifluoromethyl)benzene hydrochloride

Structural Information

Molecular Formula
C9H9BrF3NO
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)OCCN
InChI
InChI=1S/C9H9BrF3NO/c10-6-1-2-8(15-4-3-14)7(5-6)9(11,12)13/h1-2,5H,3-4,14H2
InChIKey
DGCCXSVJMXZBNN-UHFFFAOYSA-N
Compound name
2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.98196 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98924 155.0
[M+Na]+ 305.97118 166.8
[M-H]- 281.97468 157.2
[M+NH4]+ 301.01578 174.2
[M+K]+ 321.94512 154.6
[M+H-H2O]+ 265.97922 152.2
[M+HCOO]- 327.98016 172.8
[M+CH3COO]- 341.99581 197.3
[M+Na-2H]- 303.95663 160.1
[M]+ 282.98141 169.6
[M]- 282.98251 169.6
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