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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98924 154.1
[M+Na]+ 305.97118 165.9
[M-H]- 281.97468 156.9
[M+NH4]+ 301.01578 173.6
[M+K]+ 321.94512 154.1
[M+H-H2O]+ 265.97922 151.3
[M+HCOO]- 327.98016 172.5
[M+CH3COO]- 341.99581 197.9
[M+Na-2H]- 303.95663 160.3
[M]+ 282.98141 169.7
[M]- 282.98251 169.7
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.